1-[2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]acetyl]isonipecotamide Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O3S/c20-18(26)14-6-8-23(9-7-14)17(25)11-15-10-16(24)22-19(21-15)27-12-13-4-2-1-3-5-13/h1-5,10,14H,6-9,11-12H2,(H2,20,26)(H,21,22,24)