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

Systemtic Name: N6-(3-methoxypropyl)-N4-(2-methylphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-(3-methoxypropyl)-N4-(o-tolyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-(3-methoxypropyl)-N4-(2-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methoxypropyl)-4-N-(2-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: 3-methoxypropyl-[4-(o-toluidino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C22H24N6O MolecularWeight: 388.46556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCCCOC

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCCCOC

InChI

InChI=1S/C22H24N6O/c1-16-9-6-7-12-19(16)25-20-18-15-24-28(17-10-4-3-5-11-17)21(18)27-22(26-20)23-13-8-14-29-2/h3-7,9-12,15H,8,13-14H2,1-2H3,(H2,23,25,26,27)