[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl] ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C

InChI

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