ethyl 4-[2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[6-methyl-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-keto-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2=C(NC(=NC2=O)SC(C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC2=C(NC(=NC2=O)SC(C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H28N4O4S/c1-4-30-22(29)26-12-10-25(11-13-26)19(27)14-18-15(2)23-21(24-20(18)28)31-16(3)17-8-6-5-7-9-17/h5-9,16H,4,10-14H2,1-3H3,(H,23,24,28)