(1-methylpyrazolo[3,4-d]pyrimidin-4-yl) thiocyanate

Systemtic Name: (1-methylpyrazolo[3,4-d]pyrimidin-4-yl) thiocyanate Openeye Name: (1-methylpyrazolo[3,4-d]pyrimidin-4-yl) thiocyanate CAS Name: thiocyanic acid (1-methyl-4-pyrazolo[3,4-d]pyrimidinyl) ester IUPAC Name: (1-methylpyrazolo[3,4-d]pyrimidin-4-yl) thiocyanate Traditional Name: thiocyanic acid (1-methylpyrazolo[3,4-d]pyrimidin-4-yl) ester Formula: C7H5N5S MolecularWeight: 191.2131

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SC#N

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SC#N

InChI

InChI=1S/C7H5N5S/c1-12-6-5(2-11-12)7(13-3-8)10-4-9-6/h2,4H,1H3