2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-3-hydroxy-propanoic acid CAS Name: 2-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]-3-hydroxypropanoic acid IUPAC Name: 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-hydroxypropanoic acid Traditional Name: 2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-3-hydroxy-propionic acid Formula: C13H14ClN3O5 MolecularWeight: 327.72036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O5/c1-21-9-3-6-7(4-10(9)22-2)16-13(14)17-11(6)15-8(5-18)12(19)20/h3-4,8,18H,5H2,1-2H3,(H,19,20)(H,15,16,17)