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

Systemtic Name: 5-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-[2-(4-acetylpiperazino)-2-keto-ethyl]-2-(m-anisylthio)-6-methyl-1H-pyrimidin-4-one Formula: C21H26N4O4S MolecularWeight: 430.52054

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c1-14-18(12-19(27)25-9-7-24(8-10-25)15(2)26)20(28)23-21(22-14)30-13-16-5-4-6-17(11-16)29-3/h4-6,11H,7-10,12-13H2,1-3H3,(H,22,23,28)