1-(2-cyanoethyl)-3-methyl-6-(trichloromethyl)pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 1-(2-cyanoethyl)-3-methyl-6-(trichloromethyl)pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 1-(2-cyanoethyl)-3-methyl-6-(trichloromethyl)pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 1-(2-cyanoethyl)-3-methyl-6-(trichloromethyl)-4-pyrazolo[3,4-d]pyrimidinolate IUPAC Name: 1-(2-cyanoethyl)-3-methyl-6-(trichloromethyl)pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 1-(2-cyanoethyl)-3-methyl-6-(trichloromethyl)pyrazolo[3,4-d]pyrimidin-4-olate Formula: C10H7Cl3N5O- MolecularWeight: 319.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)C(Cl)(Cl)Cl)[O-])CCC#N

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)C(Cl)(Cl)Cl)[O-])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/h2,4H2,1H3,(H,15,16,19)/p-1