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

Systemtic Name: ethyl 4-[2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C19H22N4O4S/c1-2-27-19(26)23-10-8-22(9-11-23)17(25)13-28-18-20-15(12-16(24)21-18)14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H,20,21,24)