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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-7-(4-methylpiperazin-1-yl)carbonyl-3-phenyl-quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-7-(4-methylpiperazine-1-carbonyl)-3-phenyl-quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-7-[(4-methyl-1-piperazinyl)-oxomethyl]-3-phenyl-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-7-(4-methylpiperazine-1-carbonyl)-3-phenylquinazolin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-7-(4-methylpiperazine-1-carbonyl)-3-phenyl-quinazolin-4-one Formula: C26H30N4O3S MolecularWeight: 478.6064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/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/h5-11,16H,12-15,17H2,1-4H3