3-(4-methylpyridin-2-yl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-methylpyridin-2-yl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(4-methyl-2-pyridyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(4-methyl-2-pyridinyl)-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-methylpyridin-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-3-(4-methyl-2-pyridyl)quinazolin-4-one Formula: C26H25N5O2S MolecularWeight: 471.574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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