4-[(3,4-dimethoxyphenyl)amino]quinazoline-5-carboxylic acid hydrochloride

Systemtic Name: 4-[(3,4-dimethoxyphenyl)amino]quinazoline-5-carboxylic acid hydrochloride Openeye Name: 4-(3,4-dimethoxyanilino)quinazoline-5-carboxylic acid hydrochloride CAS Name: 4-(3,4-dimethoxyanilino)-5-quinazolinecarboxylic acid hydrochloride IUPAC Name: 4-(3,4-dimethoxyanilino)quinazoline-5-carboxylic acid hydrochloride Traditional Name: 4-(3,4-dimethoxyanilino)quinazoline-5-carboxylic acid hydrochloride Formula: C17H16ClN3O4 MolecularWeight: 361.77964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC=NC3=CC=CC(=C32)C(=O)O)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC=NC3=CC=CC(=C32)C(=O)O)OC.Cl

InChI

InChI=1S/C17H15N3O4.ClH/c1-23-13-7-6-10(8-14(13)24-2)20-16-15-11(17(21)22)4-3-5-12(15)18-9-19-16;/h3-9H,1-2H3,(H,21,22)(H,18,19,20);1H