4-azanyl-2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-4-keto-butyric acid Formula: C14H15ClN4O5 MolecularWeight: 354.7457

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NC(CC(=O)N)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NC(CC(=O)N)C(=O)O)OC

InChI

InChI=1S/C14H15ClN4O5/c1-23-9-3-6-7(4-10(9)24-2)18-14(15)19-12(6)17-8(13(21)22)5-11(16)20/h3-4,8H,5H2,1-2H3,(H2,16,20)(H,21,22)(H,17,18,19)