N4-(3-methylphenyl)-N6-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-methylphenyl)-N6-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-(2-morpholin-4-ium-4-ylethyl)-N4-(m-tolyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-methylphenyl)-N6-[2-(4-morpholin-4-iumyl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methylphenyl)-6-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: 2-morpholin-4-ium-4-ylethyl-[4-(m-toluidino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C24H28N7O+ MolecularWeight: 430.52542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCC[NH+]5CCOCC5

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCC[NH+]5CCOCC5

InChI

InChI=1S/C24H27N7O/c1-18-6-5-7-19(16-18)27-22-21-17-26-31(20-8-3-2-4-9-20)23(21)29-24(28-22)25-10-11-30-12-14-32-15-13-30/h2-9,16-17H,10-15H2,1H3,(H2,25,27,28,29)/p+1