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OA4 : Summary
Code ![](/pdbe/static/images/help.png)
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OA4
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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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5-methyl-6-phenylquinazoline-2,4-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 H14 N4
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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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250.298 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 |
10.04 |
n3c1c(c(c(cc1)c2ccccc2)C)c(nc3N)N |
SMILES
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CACTVS |
3.352 |
Cc1c(ccc2nc(N)nc(N)c12)c3ccccc3 |
SMILES
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OpenEye OEToolkits |
1.6.1 |
Cc1c(ccc2c1c(nc(n2)N)N)c3ccccc3 |
Canonical SMILES
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CACTVS |
3.352 |
Cc1c(ccc2nc(N)nc(N)c12)c3ccccc3 |
Canonical SMILES
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OpenEye OEToolkits |
1.6.1 |
Cc1c(ccc2c1c(nc(n2)N)N)c3ccccc3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H14N4/c1-9-11(10-5-3-2-4-6-10)7-8-12-13(9)14(16)19-15(17)18-12/h2-8H,1H3,(H4,16,17,18,19) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HUCOXWPHDFINIW-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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33 (19 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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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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2008-12-18
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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