2-(4-oxidanidyl-6-propyl-pyrimidin-2-yl)sulfanyl-N-[1-(propan-2-ylideneamino)-1,2,3,4-tetrazol-5-yl]ethanimidate

Systemtic Name: 2-(4-oxidanidyl-6-propyl-pyrimidin-2-yl)sulfanyl-N-[1-(propan-2-ylideneamino)-1,2,3,4-tetrazol-5-yl]ethanimidate Openeye Name: N-[1-(isopropylideneamino)tetrazol-5-yl]-2-(4-oxido-6-propyl-pyrimidin-2-yl)sulfanyl-ethanimidate CAS Name: 2-[(4-oxido-6-propyl-2-pyrimidinyl)thio]-N-[1-(propan-2-ylideneamino)-5-tetrazolyl]ethanimidate IUPAC Name: 2-(4-oxido-6-propylpyrimidin-2-yl)sulfanyl-N-[1-(propan-2-ylideneamino)tetrazol-5-yl]ethanimidate Traditional Name: N-[1-(isopropylideneamino)tetrazol-5-yl]-2-[(4-oxido-6-propyl-pyrimidin-2-yl)thio]acetimidate Formula: C13H16N8O2S-2 MolecularWeight: 348.38354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=NC2=NN=NN2N=C(C)C)[O-])[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=NC2=NN=NN2N=C(C)C)[O-])[O-]

InChI

InChI=1S/C13H18N8O2S/c1-4-5-9-6-10(22)16-13(14-9)24-7-11(23)15-12-17-19-20-21(12)18-8(2)3/h6H,4-5,7H2,1-3H3,(H,14,16,22)(H,15,17,20,23)/p-2