methyl 2-[2-(1-chloroethyl)-6-(dimethylamino)-4-oxidanylidene-quinazolin-3-yl]benzoate

Systemtic Name: methyl 2-[2-(1-chloroethyl)-6-(dimethylamino)-4-oxidanylidene-quinazolin-3-yl]benzoate Openeye Name: methyl 2-[2-(1-chloroethyl)-6-(dimethylamino)-4-oxo-quinazolin-3-yl]benzoate CAS Name: 2-[2-(1-chloroethyl)-6-(dimethylamino)-4-oxo-3-quinazolinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(1-chloroethyl)-6-(dimethylamino)-4-oxoquinazolin-3-yl]benzoate Traditional Name: 2-[2-(1-chloroethyl)-6-(dimethylamino)-4-keto-quinazolin-3-yl]benzoic acid methyl ester Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C=C(C=C2)N(C)C)C(=O)N1C3=CC=CC=C3C(=O)OC)Cl

Isomeric SMILES

CC(C1=NC2=C(C=C(C=C2)N(C)C)C(=O)N1C3=CC=CC=C3C(=O)OC)Cl

InChI

InChI=1S/C20H20ClN3O3/c1-12(21)18-22-16-10-9-13(23(2)3)11-15(16)19(25)24(18)17-8-6-5-7-14(17)20(26)27-4/h5-12H,1-4H3