ethyl 4-[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[2-[(3-chlorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[2-[(3-chlorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H27ClN4O4S MolecularWeight: 478.99218

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O4S/c1-3-31-22(30)27-9-7-17(8-10-27)25-19(28)12-18-14(2)24-21(26-20(18)29)32-13-15-5-4-6-16(23)11-15/h4-6,11,17H,3,7-10,12-13H2,1-2H3,(H,25,28)(H,24,26,29)