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

Systemtic Name: 3-(4-ethylphenyl)-2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(4-ethylphenyl)-2-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(4-ethylphenyl)-2-[[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-ethylphenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(4-ethylphenyl)-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:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

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