6-methyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O2S/c1-14-11-16(23)20-18(19-14)25-13-17(24)22-9-7-21(8-10-22)12-15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3,(H,19,20,23)