N4-(4-methoxyphenyl)-N6-(3-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(4-methoxyphenyl)-N6-(3-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-N4-(4-methoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-methoxyphenyl)-N6-(3-methylbutyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methoxyphenyl)-6-N-(3-methylbutyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: isoamyl-[4-(p-anisidino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C23H26N6O MolecularWeight: 402.49214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CCNC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H26N6O/c1-16(2)13-14-24-23-27-21(26-17-9-11-19(30-3)12-10-17)20-15-25-29(22(20)28-23)18-7-5-4-6-8-18/h4-12,15-16H,13-14H2,1-3H3,(H2,24,26,27,28)