N4-(2,5-dimethylphenyl)-1-methyl-N6-phenethyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(2,5-dimethylphenyl)-1-methyl-N6-phenethyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethylphenyl)-1-methyl-N6-phenethyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethylphenyl)-1-methyl-N6-phenethylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethylphenyl)-1-methyl-6-N-phenethylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(2,5-dimethylanilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]-phenethyl-amine Formula: C22H24N6 MolecularWeight: 372.46616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=NC(=NC3=C2C=NN3C)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=NC(=NC3=C2C=NN3C)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H24N6/c1-15-9-10-16(2)19(13-15)25-20-18-14-24-28(3)21(18)27-22(26-20)23-12-11-17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3,(H2,23,25,26,27)