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6DZ : Summary
Code ![](/pdbe/static/images/help.png)
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6DZ
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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2-(furan-2-yl)-N~5~-[2-(4-methylpiperazin-1-yl)ethyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C15 H21 N9 O
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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343.387 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
n1c(nn3c1nc(NCCN2CCN(C)CC2)nc3N)c4ccco4 |
SMILES
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CACTVS |
3.385 |
CN1CCN(CCNc2nc(N)n3nc(nc3n2)c4occc4)CC1 |
SMILES
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OpenEye OEToolkits |
2.0.4 |
CN1CCN(CC1)CCNc2nc(n3c(n2)nc(n3)c4ccco4)N |
Canonical SMILES
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CACTVS |
3.385 |
CN1CCN(CCNc2nc(N)n3nc(nc3n2)c4occc4)CC1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.4 |
CN1CCN(CC1)CCNc2nc(n3c(n2)nc(n3)c4ccco4)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H21N9O/c1-22-6-8-23(9-7-22)5-4-17-14-19-13(16)24-15(20-14)18-12(21-24)11-3-2-10-25-11/h2-3,10H,4-9H2,1H3,(H3,16,17,18,19,20,21) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | NLHRMBTYEDTOKC-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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46 (25 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2016-03-18
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Last modified at ![](/pdbe/static/images/help.png)
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2016-06-24
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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