6-methyl-5-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-methyl-5-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-methyl-5-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]-6-methyl-1H-pyrimidin-4-one Formula: C23H26N6O2S MolecularWeight: 450.55654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O2S/c1-17-19(21(31)27-23(26-17)32-16-18-6-3-2-4-7-18)8-9-20(30)28-12-14-29(15-13-28)22-24-10-5-11-25-22/h2-7,10-11H,8-9,12-16H2,1H3,(H,26,27,31)