3RZ
4-amino-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide
Created: | 2010-12-07 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 32 |
Chiral Atom Count | 0 |
Bond Count | 34 |
Aromatic Bond Count | 16 |
Chemical Component Summary | |
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Name | 4-amino-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide |
Systematic Name (OpenEye OEToolkits) | 4-azanyl-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide |
Formula | C13 H12 N6 O |
Molecular Weight | 268.274 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c2c1nc(nc(N)c1ccc2)C)Nc3nncc3 |
SMILES | CACTVS | 3.370 | Cc1nc(N)c2cccc(C(=O)Nc3cc[nH]n3)c2n1 |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1nc2c(cccc2C(=O)Nc3cc[nH]n3)c(n1)N |
Canonical SMILES | CACTVS | 3.370 | Cc1nc(N)c2cccc(C(=O)Nc3cc[nH]n3)c2n1 |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | Cc1nc2c(cccc2C(=O)Nc3cc[nH]n3)c(n1)N |
InChI | InChI | 1.03 | InChI=1S/C13H12N6O/c1-7-16-11-8(12(14)17-7)3-2-4-9(11)13(20)18-10-5-6-15-19-10/h2-6H,1H3,(H2,14,16,17)(H2,15,18,19,20) |
InChIKey | InChI | 1.03 | DMLHUAFVSLGSDJ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 49852676 |