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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C26H31N3O4S/c1-5-18(19-9-7-6-8-10-19)14-27-23(30)16-34-26-28-22-13-20(25(32)33-4)11-12-21(22)24(31)29(26)15-17(2)3/h6-13,17-18H,5,14-16H2,1-4H3,(H,27,30)/t18-/m1/s1