methyl 3-(2-methylpropyl)-2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-methylpropyl)-2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-isobutyl-2-[2-(isobutylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-methylpropyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropyl)-2-[2-(2-methylpropylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-isobutyl-2-[[2-(isobutylamino)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)C

Isomeric SMILES

CC(C)CNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)C

InChI

InChI=1S/C20H27N3O4S/c1-12(2)9-21-17(24)11-28-20-22-16-8-14(19(26)27-5)6-7-15(16)18(25)23(20)10-13(3)4/h6-8,12-13H,9-11H2,1-5H3,(H,21,24)