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

Systemtic Name: N4-(3-methoxyphenyl)-N6-(3-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-N4-(3-methoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-methoxyphenyl)-N6-(3-methylbutyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methoxyphenyl)-6-N-(3-methylbutyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: isoamyl-[4-(m-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(=CC=C4)OC

Isomeric SMILES

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

InChI

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