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

Systemtic Name: 1-[4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: 1-[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: 1-[4-oxo-6-[(2-pyrimidinylthio)methyl]-1H-pyrimidin-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[4-keto-6-[(2-pyrimidylthio)methyl]-1H-pyrimidin-2-yl]isonipecotamide Formula: C15H18N6O2S MolecularWeight: 346.40742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C2=NC(=O)C=C(N2)CSC3=NC=CC=N3

Isomeric SMILES

C1CN(CCC1C(=O)N)C2=NC(=O)C=C(N2)CSC3=NC=CC=N3

InChI

InChI=1S/C15H18N6O2S/c16-13(23)10-2-6-21(7-3-10)14-19-11(8-12(22)20-14)9-24-15-17-4-1-5-18-15/h1,4-5,8,10H,2-3,6-7,9H2,(H2,16,23)(H,19,20,22)