2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-7-(4-methylpiperazin-1-yl)carbonyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-7-(4-methylpiperazin-1-yl)carbonyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-7-(4-methylpiperazine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-7-[(4-methyl-1-piperazinyl)-oxomethyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-7-(4-methylpiperazine-1-carbonyl)quinazolin-4-one Traditional Name: 3-benzyl-2-[(2-keto-3,3-dimethyl-butyl)thio]-7-(4-methylpiperazine-1-carbonyl)quinazolin-4-one Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3S/c1-27(2,3)23(32)18-35-26-28-22-16-20(24(33)30-14-12-29(4)13-15-30)10-11-21(22)25(34)31(26)17-19-8-6-5-7-9-19/h5-11,16H,12-15,17-18H2,1-4H3