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

Systemtic Name: 5-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-2-benzylsulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-benzylsulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-[2-(4-acetylpiperazino)-2-keto-ethyl]-2-(benzylthio)-6-methyl-1H-pyrimidin-4-one Formula: C20H24N4O3S MolecularWeight: 400.49456

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S/c1-14-17(12-18(26)24-10-8-23(9-11-24)15(2)25)19(27)22-20(21-14)28-13-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3,(H,21,22,27)