16I
N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL]THIOPHENE-2-CARBOXAMIDE
Created: | 2013-06-24 |
Last modified: | 2014-09-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 38 |
Chiral Atom Count | 0 |
Bond Count | 41 |
Aromatic Bond Count | 17 |
Chemical Component Summary | |
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Name | N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL]THIOPHENE-2-CARBOXAMIDE |
Systematic Name (OpenEye OEToolkits) | N-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]thiophene-2-carboxamide |
Formula | C19 H13 N3 O2 S |
Molecular Weight | 347.39 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc3ccc(C2=Nc1ccccc1C(=O)N2)cc3)c4sccc4 |
SMILES | CACTVS | 3.385 | O=C(Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2)c4sccc4 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)NC(=O)c4cccs4 |
Canonical SMILES | CACTVS | 3.385 | O=C(Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2)c4sccc4 |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)NC(=O)c4cccs4 |
InChI | InChI | 1.03 | InChI=1S/C19H13N3O2S/c23-18-14-4-1-2-5-15(14)21-17(22-18)12-7-9-13(10-8-12)20-19(24)16-6-3-11-25-16/h1-11H,(H,20,24)(H,21,22,23) |
InChIKey | InChI | 1.03 | ZYFVSGVBEBJHCD-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 135414635, 1300733 |
ChEMBL | CHEMBL3431396 |