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

Systemtic Name: 3-(2,3-dimethylphenyl)-2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2,3-dimethylphenyl)-2-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2,3-dimethylphenyl)-2-[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 3-(2,3-dimethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(2,3-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=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=N5)C

Isomeric SMILES

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

InChI

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