ethyl 4-[3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]propanoyl]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)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

InChI

InChI=1S/C22H28N4O4S/c1-3-30-22(29)26-13-11-25(12-14-26)19(27)10-9-18-16(2)23-21(24-20(18)28)31-15-17-7-5-4-6-8-17/h4-8H,3,9-15H2,1-2H3,(H,23,24,28)