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

Systemtic Name: 1-[6-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: 1-[6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: 1-[6-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-[6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[6-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-keto-1H-pyrimidin-2-yl]isonipecotamide Formula: C13H17N7O2S2 MolecularWeight: 367.44978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C2=NC(=O)C=C(N2)CSC3=NN=C(S3)N

Isomeric SMILES

C1CN(CCC1C(=O)N)C2=NC(=O)C=C(N2)CSC3=NN=C(S3)N

InChI

InChI=1S/C13H17N7O2S2/c14-10(22)7-1-3-20(4-2-7)12-16-8(5-9(21)17-12)6-23-13-19-18-11(15)24-13/h5,7H,1-4,6H2,(H2,14,22)(H2,15,18)(H,16,17,21)