propyl 6-(2-chlorophenyl)-7-oxidanylidene-2-(propan-2-ylamino)-1H-quinazoline-8-carboxylate

Systemtic Name: propyl 6-(2-chlorophenyl)-7-oxidanylidene-2-(propan-2-ylamino)-1H-quinazoline-8-carboxylate Openeye Name: propyl 6-(2-chlorophenyl)-2-(isopropylamino)-7-oxo-1H-quinazoline-8-carboxylate CAS Name: 6-(2-chlorophenyl)-7-oxo-2-(propan-2-ylamino)-1H-quinazoline-8-carboxylic acid propyl ester IUPAC Name: propyl 6-(2-chlorophenyl)-7-oxo-2-(propan-2-ylamino)-1H-quinazoline-8-carboxylate Traditional Name: 6-(2-chlorophenyl)-2-(isopropylamino)-7-keto-1H-quinazoline-8-carboxylic acid propyl ester Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C2C(=CN=C(N2)NC(C)C)C=C(C1=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCCOC(=O)C1=C2C(=CN=C(N2)NC(C)C)C=C(C1=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O3/c1-4-9-28-20(27)17-18-13(11-23-21(25-18)24-12(2)3)10-15(19(17)26)14-7-5-6-8-16(14)22/h5-8,10-12H,4,9H2,1-3H3,(H2,23,24,25)