3-(2,4-dimethylphenyl)-2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2,4-dimethylphenyl)-2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2,4-dimethylphenyl)-2-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2,4-dimethylphenyl)-2-[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 3-(2,4-dimethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(2,4-dimethylphenyl)-2-[[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]thio]quinazolin-4-one Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=N5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=N5)C

InChI

InChI=1S/C27H27N5O2S/c1-19-10-11-23(20(2)17-19)32-26(34)21-7-3-4-8-22(21)29-27(32)35-18-25(33)31-15-13-30(14-16-31)24-9-5-6-12-28-24/h3-12,17H,13-16,18H2,1-2H3