ethyl 4-[2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

InChI

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