1-[4-oxidanylidene-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[4-oxidanylidene-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: 1-[4-oxo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: 1-[4-oxo-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1H-pyrimidin-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-[4-oxo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[4-keto-6-[[(1-phenyltetrazol-5-yl)thio]methyl]-1H-pyrimidin-2-yl]isonipecotamide Formula: C18H20N8O2S MolecularWeight: 412.4688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C2=NC(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N)C2=NC(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H20N8O2S/c19-16(28)12-6-8-25(9-7-12)17-20-13(10-15(27)21-17)11-29-18-22-23-24-26(18)14-4-2-1-3-5-14/h1-5,10,12H,6-9,11H2,(H2,19,28)(H,20,21,27)