N-(3,7-dimethylpyrazolo[3,4-e][1,2,4]triazin-4-yl)azepane-1-carbothioamide

Systemtic Name: N-(3,7-dimethylpyrazolo[3,4-e][1,2,4]triazin-4-yl)azepane-1-carbothioamide Openeye Name: N-(3,7-dimethylpyrazolo[3,4-e][1,2,4]triazin-4-yl)azepane-1-carbothioamide CAS Name: N-(3,7-dimethyl-4-pyrazolo[3,4-e][1,2,4]triazinyl)-1-azepanecarbothioamide IUPAC Name: N-(3,7-dimethylpyrazolo[3,4-e][1,2,4]triazin-4-yl)azepane-1-carbothioamide Traditional Name: N-(3,7-dimethylpyrazolo[3,4-e][1,2,4]triazin-4-yl)azepane-1-carbothioamide Formula: C13H19N7S MolecularWeight: 305.40186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2C1=NN=C(N2NC(=S)N3CCCCCC3)C

Isomeric SMILES

CC1=NN=C2C1=NN=C(N2NC(=S)N3CCCCCC3)C

InChI

InChI=1S/C13H19N7S/c1-9-11-12(17-14-9)20(10(2)15-16-11)18-13(21)19-7-5-3-4-6-8-19/h3-8H2,1-2H3,(H,18,21)