N6-(3-methylbutyl)-N4-(4-methylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methylbutyl)-N4-(4-methylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-1-phenyl-N4-(p-tolyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-(3-methylbutyl)-N4-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methylbutyl)-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: isoamyl-[1-phenyl-4-(p-toluidino)pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C23H26N6 MolecularWeight: 386.49274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCCC(C)C

InChI

InChI=1S/C23H26N6/c1-16(2)13-14-24-23-27-21(26-18-11-9-17(3)10-12-18)20-15-25-29(22(20)28-23)19-7-5-4-6-8-19/h4-12,15-16H,13-14H2,1-3H3,(H2,24,26,27,28)