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

Systemtic Name: 5-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 5-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethyl]-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-4-one Formula: C27H30N4O3S MolecularWeight: 490.6171

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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)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C27H30N4O3S/c1-18-24(26(34)29-27(28-18)35-20(3)22-7-5-4-6-8-22)17-25(33)31-15-13-30(14-16-31)23-11-9-21(10-12-23)19(2)32/h4-12,20H,13-17H2,1-3H3,(H,28,29,34)