2-(2,6-diethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanylethanenitrile

Systemtic Name: 2-(2,6-diethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanylethanenitrile Openeye Name: 2-(2,6-diethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanylacetonitrile CAS Name: 2-[(2,6-diethyl-7-oxo-5-pyrazolo[4,3-d]pyrimidinyl)thio]acetonitrile IUPAC Name: 2-(2,6-diethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl)sulfanylacetonitrile Traditional Name: 2-[(2,6-diethyl-7-keto-pyrazolo[4,3-d]pyrimidin-5-yl)thio]acetonitrile Formula: C11H13N5OS MolecularWeight: 263.31882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC#N)CC

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC#N)CC

InChI

InChI=1S/C11H13N5OS/c1-3-15-7-8-9(14-15)10(17)16(4-2)11(13-8)18-6-5-12/h7H,3-4,6H2,1-2H3