3-(5-methylpyridin-2-yl)-2-[2-oxidanylidene-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(5-methylpyridin-2-yl)-2-[2-oxidanylidene-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(5-methyl-2-pyridyl)-2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(5-methyl-2-pyridinyl)-2-[[2-oxo-2-[4-(1-phenylethyl)-1-piperazinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 3-(5-methylpyridin-2-yl)-2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-[4-(1-phenylethyl)piperazino]ethyl]thio]-3-(5-methyl-2-pyridyl)quinazolin-4-one Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O2S/c1-20-12-13-25(29-18-20)33-27(35)23-10-6-7-11-24(23)30-28(33)36-19-26(34)32-16-14-31(15-17-32)21(2)22-8-4-3-5-9-22/h3-13,18,21H,14-17,19H2,1-2H3