methyl 3-[(2-chlorophenyl)methyl]-2-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(2-chlorophenyl)methyl]-2-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2-chlorophenyl)methyl]-2-[2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chlorophenyl)methyl]-2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-chlorobenzyl)-2-[[2-(cyclopropylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CC=C4Cl

Isomeric SMILES

CC(C(=O)NC1CC1)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CC=C4Cl

InChI

InChI=1S/C23H22ClN3O4S/c1-13(20(28)25-16-8-9-16)32-23-26-19-11-14(22(30)31-2)7-10-17(19)21(29)27(23)12-15-5-3-4-6-18(15)24/h3-7,10-11,13,16H,8-9,12H2,1-2H3,(H,25,28)