5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-[4-(3-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-[2-keto-2-[4-(3-methoxyphenyl)piperazino]ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C25H28N4O3S MolecularWeight: 464.57982

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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=CC(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3S/c1-18-22(24(31)27-25(26-18)33-17-19-7-4-3-5-8-19)16-23(30)29-13-11-28(12-14-29)20-9-6-10-21(15-20)32-2/h3-10,15H,11-14,16-17H2,1-2H3,(H,26,27,31)