3-methyl-1-phenyl-6-(trichloromethyl)-3aH-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-methyl-1-phenyl-6-(trichloromethyl)-3aH-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-methyl-1-phenyl-6-(trichloromethyl)-3aH-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-methyl-1-phenyl-6-(trichloromethyl)-3aH-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-methyl-1-phenyl-6-(trichloromethyl)-3aH-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-methyl-1-phenyl-6-(trichloromethyl)-3aH-pyrazolo[3,4-d]pyrimidin-4-one Formula: C13H9Cl3N4O MolecularWeight: 343.59576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC(=NC(=O)C12)C(Cl)(Cl)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C2=NC(=NC(=O)C12)C(Cl)(Cl)Cl)C3=CC=CC=C3

InChI

InChI=1S/C13H9Cl3N4O/c1-7-9-10(17-12(13(14,15)16)18-11(9)21)20(19-7)8-5-3-2-4-6-8/h2-6,9H,1H3