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

Systemtic Name: 3-(2-methylphenyl)-2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(o-tolyl)-2-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2-methylphenyl)-2-[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 3-(2-methylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]thio]-3-(o-tolyl)quinazolin-4-one Formula: C26H25N5O2S MolecularWeight: 471.574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C26H25N5O2S/c1-19-8-2-5-11-22(19)31-25(33)20-9-3-4-10-21(20)28-26(31)34-18-24(32)30-16-14-29(15-17-30)23-12-6-7-13-27-23/h2-13H,14-18H2,1H3