N4-(3,4-dimethylphenyl)-1-phenyl-N6-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3,4-dimethylphenyl)-1-phenyl-N6-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3,4-dimethylphenyl)-1-phenyl-N6-(3-pyridylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3,4-dimethylphenyl)-1-phenyl-N6-(3-pyridinylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-1-phenyl-6-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3,4-dimethylanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-(3-pyridylmethyl)amine Formula: C25H23N7 MolecularWeight: 421.49702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCC5=CN=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCC5=CN=CC=C5)C

InChI

InChI=1S/C25H23N7/c1-17-10-11-20(13-18(17)2)29-23-22-16-28-32(21-8-4-3-5-9-21)24(22)31-25(30-23)27-15-19-7-6-12-26-14-19/h3-14,16H,15H2,1-2H3,(H2,27,29,30,31)