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

Systemtic Name: ethyl 4-[2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[6-methyl-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[4-keto-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4S/c1-4-31-23(30)27-12-10-18(11-13-27)25-20(28)14-19-15(2)24-22(26-21(19)29)32-16(3)17-8-6-5-7-9-17/h5-9,16,18H,4,10-14H2,1-3H3,(H,25,28)(H,24,26,29)