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

Systemtic Name: 3-cyclohexyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-7-(4-methylpiperazin-1-yl)carbonyl-quinazolin-4-one Openeye Name: 3-cyclohexyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-7-(4-methylpiperazine-1-carbonyl)quinazolin-4-one CAS Name: 3-cyclohexyl-2-[(3,3-dimethyl-2-oxobutyl)thio]-7-[(4-methyl-1-piperazinyl)-oxomethyl]-4-quinazolinone IUPAC Name: 3-cyclohexyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-7-(4-methylpiperazine-1-carbonyl)quinazolin-4-one Traditional Name: 3-cyclohexyl-2-[(2-keto-3,3-dimethyl-butyl)thio]-7-(4-methylpiperazine-1-carbonyl)quinazolin-4-one Formula: C26H36N4O3S MolecularWeight: 484.65404

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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)N1C4CCCCC4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C)C(=O)N1C4CCCCC4

InChI

InChI=1S/C26H36N4O3S/c1-26(2,3)22(31)17-34-25-27-21-16-18(23(32)29-14-12-28(4)13-15-29)10-11-20(21)24(33)30(25)19-8-6-5-7-9-19/h10-11,16,19H,5-9,12-15,17H2,1-4H3