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

Systemtic Name: methyl 3-(2-methylpropyl)-4-oxidanylidene-2-[1-oxidanylidene-1-(propylamino)propan-2-yl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-isobutyl-2-[1-methyl-2-oxo-2-(propylamino)ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropyl)-4-oxo-2-[1-oxo-1-(propylamino)propan-2-yl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-isobutyl-4-keto-2-[[2-keto-1-methyl-2-(propylamino)ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)C

Isomeric SMILES

CCCNC(=O)C(C)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)C

InChI

InChI=1S/C20H27N3O4S/c1-6-9-21-17(24)13(4)28-20-22-16-10-14(19(26)27-5)7-8-15(16)18(25)23(20)11-12(2)3/h7-8,10,12-13H,6,9,11H2,1-5H3,(H,21,24)