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

Systemtic Name: 5-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 5-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-[2-(4-acetylpiperazino)-2-keto-ethyl]-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-4-one Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-14-18(13-19(27)25-11-9-24(10-12-25)16(3)26)20(28)23-21(22-14)29-15(2)17-7-5-4-6-8-17/h4-8,15H,9-13H2,1-3H3,(H,22,23,28)