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0TZ : Summary
Code
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0TZ
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One-letter code
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X
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Molecule name
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3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
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Systematic names
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Formula
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C14 H13 N9
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Formal charge
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0
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Molecular weight
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307.313 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
n2c1ccccn1c(c2Nc3ccnn3)c4nc(nc(n4)N)C |
SMILES
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CACTVS |
3.370 |
Cc1nc(N)nc(n1)c2n3ccccc3nc2Nc4[nH]ncc4 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1nc(nc(n1)N)c2c(nc3n2cccc3)Nc4ccn[nH]4 |
Canonical SMILES
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CACTVS |
3.370 |
Cc1nc(N)nc(n1)c2n3ccccc3nc2Nc4[nH]ncc4 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
Cc1nc(nc(n1)N)c2c(nc3n2cccc3)Nc4ccn[nH]4 |
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IUPAC InChI | InChI=1S/C14H13N9/c1-8-17-12(21-14(15)18-8)11-13(19-9-5-6-16-22-9)20-10-4-2-3-7-23(10)11/h2-7H,1H3,(H2,16,19,22)(H2,15,17,18,21) |
IUPAC InChI key | OEQWYIZFUDGMEW-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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36 (23 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2012-06-12
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Last modified at
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2012-07-13
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Status
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Released
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Obsoleted
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Not Assigned
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