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

Systemtic Name: methyl 2-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl]sulfanyl-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]thio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl]thio]-3-isobutyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N(C)CCC#N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N(C)CCC#N

InChI

InChI=1S/C20H24N4O4S/c1-13(2)11-24-18(26)15-7-6-14(19(27)28-4)10-16(15)22-20(24)29-12-17(25)23(3)9-5-8-21/h6-7,10,13H,5,9,11-12H2,1-4H3