ethyl 4-[2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O4S/c1-2-28-20(27)24-10-8-23(9-11-24)18(26)13-16-12-17(25)22-19(21-16)29-14-15-6-4-3-5-7-15/h3-7,12H,2,8-11,13-14H2,1H3,(H,21,22,25)