N4-(2-methylphenyl)-1-phenyl-N6-prop-2-enyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(2-methylphenyl)-1-phenyl-N6-prop-2-enyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(o-tolyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(2-methylphenyl)-1-phenyl-N6-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methylphenyl)-1-phenyl-6-N-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: allyl-[4-(o-toluidino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C21H20N6 MolecularWeight: 356.4237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCC=C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCC=C

InChI

InChI=1S/C21H20N6/c1-3-13-22-21-25-19(24-18-12-8-7-9-15(18)2)17-14-23-27(20(17)26-21)16-10-5-4-6-11-16/h3-12,14H,1,13H2,2H3,(H2,22,24,25,26)