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

Systemtic Name: 5-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-2-benzylsulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-benzylsulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-[2-keto-2-(4-piperonylpiperazino)ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C26H28N4O4S MolecularWeight: 492.58992

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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)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N4O4S/c1-18-21(25(32)28-26(27-18)35-16-19-5-3-2-4-6-19)14-24(31)30-11-9-29(10-12-30)15-20-7-8-22-23(13-20)34-17-33-22/h2-8,13H,9-12,14-17H2,1H3,(H,27,28,32)