2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C16H16ClN5O4 MolecularWeight: 377.78234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NC(CC3=CN=CN3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NC(CC3=CN=CN3)C(=O)O)OC

InChI

InChI=1S/C16H16ClN5O4/c1-25-12-4-9-10(5-13(12)26-2)21-16(17)22-14(9)20-11(15(23)24)3-8-6-18-7-19-8/h4-7,11H,3H2,1-2H3,(H,18,19)(H,23,24)(H,20,21,22)