6-methyl-5-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-methyl-5-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-methyl-5-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H24N6O2S/c1-16-18(20(30)26-22(25-16)31-15-17-6-3-2-4-7-17)14-19(29)27-10-12-28(13-11-27)21-23-8-5-9-24-21/h2-9H,10-15H2,1H3,(H,25,26,30)