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

Systemtic Name: 3-(3-methylphenyl)-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(m-tolyl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-methylphenyl)-2-[[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-methylphenyl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]thio]-3-(m-tolyl)quinazolin-4-one Formula: C25H24N6O2S MolecularWeight: 472.56206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N6O2S/c1-18-6-4-7-19(16-18)31-23(33)20-8-2-3-9-21(20)28-25(31)34-17-22(32)29-12-14-30(15-13-29)24-26-10-5-11-27-24/h2-11,16H,12-15,17H2,1H3