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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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