5-methyl-4-methylimino-7-(2-methylpropyl)-3-phenylazanyl-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-one

Systemtic Name: 5-methyl-4-methylimino-7-(2-methylpropyl)-3-phenylazanyl-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-one Openeye Name: 3-anilino-7-isobutyl-5-methyl-4-methylimino-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-one CAS Name: 3-anilino-5-methyl-4-methylimino-7-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-6-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-anilino-5-methyl-4-methylimino-7-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-one Traditional Name: 3-anilino-7-isobutyl-5-methyl-4-methylimino-2-[4-(trifluoromethyl)benzyl]pyrazolo[3,4-d]pyrimidin-6-one Formula: C25H27F3N6O MolecularWeight: 484.51669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=NN(C(=C2C(=NC)N(C1=O)C)NC3=CC=CC=C3)CC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC(C)CN1C2=NN(C(=C2C(=NC)N(C1=O)C)NC3=CC=CC=C3)CC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H27F3N6O/c1-16(2)14-33-23-20(21(29-3)32(4)24(33)35)22(30-19-8-6-5-7-9-19)34(31-23)15-17-10-12-18(13-11-17)25(26,27)28/h5-13,16,30H,14-15H2,1-4H3