3-[3-methyl-4-oxidanylidene-6-(trichloromethyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile

Systemtic Name: 3-[3-methyl-4-oxidanylidene-6-(trichloromethyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile Openeye Name: 3-[3-methyl-4-oxo-6-(trichloromethyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile CAS Name: 3-[3-methyl-4-oxo-6-(trichloromethyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile IUPAC Name: 3-[3-methyl-4-oxo-6-(trichloromethyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile Traditional Name: 3-[4-keto-3-methyl-6-(trichloromethyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]propionitrile Formula: C10H8Cl3N5O MolecularWeight: 320.56242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=NC2=O)C(Cl)(Cl)Cl)N(N1)CCC#N

Isomeric SMILES

CC1=C2C(=NC(=NC2=O)C(Cl)(Cl)Cl)N(N1)CCC#N

InChI

InChI=1S/C10H8Cl3N5O/c1-5-6-7(18(17-5)4-2-3-14)15-9(10(11,12)13)16-8(6)19/h17H,2,4H2,1H3