methyl 3-(2-methylpropyl)-4-oxidanylidene-2-[2-oxidanylidene-2-(1-phenylbutylamino)ethyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-methylpropyl)-4-oxidanylidene-2-[2-oxidanylidene-2-(1-phenylbutylamino)ethyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-isobutyl-4-oxo-2-[2-oxo-2-(1-phenylbutylamino)ethyl]sulfanyl-quinazoline-7-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-2-[[2-oxo-2-(1-phenylbutylamino)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropyl)-4-oxo-2-[2-oxo-2-(1-phenylbutylamino)ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-isobutyl-4-keto-2-[[2-keto-2-(1-phenylbutylamino)ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)C

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)C

InChI

InChI=1S/C26H31N3O4S/c1-5-9-21(18-10-7-6-8-11-18)27-23(30)16-34-26-28-22-14-19(25(32)33-4)12-13-20(22)24(31)29(26)15-17(2)3/h6-8,10-14,17,21H,5,9,15-16H2,1-4H3,(H,27,30)