N6-(3,5-dimethylphenyl)-1-methyl-N4-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-(3,5-dimethylphenyl)-1-methyl-N4-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(3,5-dimethylphenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-(3,5-dimethylphenyl)-1-methyl-N4-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: benzyl-[6-(3,5-dimethylanilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C21H22N6 MolecularWeight: 358.43958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC3=C(C=NN3C)C(=N2)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC3=C(C=NN3C)C(=N2)NCC4=CC=CC=C4)C

InChI

InChI=1S/C21H22N6/c1-14-9-15(2)11-17(10-14)24-21-25-19(18-13-23-27(3)20(18)26-21)22-12-16-7-5-4-6-8-16/h4-11,13H,12H2,1-3H3,(H2,22,24,25,26)