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

Systemtic Name: N4-(4-methylphenyl)-N6-(pyridin-3-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(p-tolyl)-N6-(3-pyridylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-methylphenyl)-N6-(3-pyridinylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methylphenyl)-6-N-(pyridin-3-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(p-toluidino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-(3-pyridylmethyl)amine Formula: C18H17N7 MolecularWeight: 331.37448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3)NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3)NCC4=CN=CC=C4

InChI

InChI=1S/C18H17N7/c1-12-4-6-14(7-5-12)22-16-15-11-21-25-17(15)24-18(23-16)20-10-13-3-2-8-19-9-13/h2-9,11H,10H2,1H3,(H3,20,21,22,23,24,25)