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546 : Summary
Code ![](/pdbe/static/images/help.png)
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546
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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-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine
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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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C18 H17 N5 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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319.36 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 |
n2c1c(nc(OC)cc1)n4c(c2C)c(nc4c3c(ccnc3)C)C |
SMILES
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CACTVS |
3.370 |
COc1ccc2nc(C)c3n(c2n1)c(nc3C)c4cnccc4C |
SMILES
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OpenEye OEToolkits |
1.7.2 |
Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C |
Canonical SMILES
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CACTVS |
3.370 |
COc1ccc2nc(C)c3n(c2n1)c(nc3C)c4cnccc4C |
Canonical SMILES
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OpenEye OEToolkits |
1.7.2 |
Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | VAYNYSLGOOSRMO-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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41 (24 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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2011-07-11
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Last modified at ![](/pdbe/static/images/help.png)
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2011-10-21
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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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