5-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethyl]-2-(m-anisylthio)-6-methyl-1H-pyrimidin-4-one Formula: C27H30N4O4S MolecularWeight: 506.6165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)OC)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)OC)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C27H30N4O4S/c1-18-24(26(34)29-27(28-18)36-17-20-5-4-6-23(15-20)35-3)16-25(33)31-13-11-30(12-14-31)22-9-7-21(8-10-22)19(2)32/h4-10,15H,11-14,16-17H2,1-3H3,(H,28,29,34)