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

Systemtic Name: 6-methyl-5-[3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]propyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-methyl-5-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]propyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[3-oxo-3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]propyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-methyl-5-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-[3-keto-3-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]propyl]-6-methyl-1H-pyrimidin-4-one Formula: C25H33N5O3S MolecularWeight: 483.62622

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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)CC(=O)N4CCCC4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)N3CCN(CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C25H33N5O3S/c1-19-21(24(33)27-25(26-19)34-18-20-7-3-2-4-8-20)9-10-22(31)30-15-13-28(14-16-30)17-23(32)29-11-5-6-12-29/h2-4,7-8H,5-6,9-18H2,1H3,(H,26,27,33)