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

Systemtic Name: N4-(3,4-dimethylphenyl)-1-phenyl-N6-prop-2-enyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(3,4-dimethylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3,4-dimethylphenyl)-1-phenyl-N6-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-1-phenyl-6-N-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: allyl-[4-(3,4-dimethylanilino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C22H22N6 MolecularWeight: 370.45028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6/c1-4-12-23-22-26-20(25-17-11-10-15(2)16(3)13-17)19-14-24-28(21(19)27-22)18-8-6-5-7-9-18/h4-11,13-14H,1,12H2,2-3H3,(H2,23,25,26,27)