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

Systemtic Name: 3-(2-ethylphenyl)-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2-ethylphenyl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2-ethylphenyl)-2-[[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 3-(2-ethylphenyl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(2-ethylphenyl)-2-[[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]thio]quinazolin-4-one Formula: C26H26N6O2S MolecularWeight: 486.58864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H26N6O2S/c1-2-19-8-3-6-11-22(19)32-24(34)20-9-4-5-10-21(20)29-26(32)35-18-23(33)30-14-16-31(17-15-30)25-27-12-7-13-28-25/h3-13H,2,14-18H2,1H3