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

Systemtic Name: N4-(4-ethoxyphenyl)-N6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(4-ethoxyphenyl)-N6-isobutyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-ethoxyphenyl)-N6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-ethoxyphenyl)-6-N-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: isobutyl-[1-phenyl-4-(p-phenetidino)pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C23H26N6O MolecularWeight: 402.49214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCC(C)C

InChI

InChI=1S/C23H26N6O/c1-4-30-19-12-10-17(11-13-19)26-21-20-15-25-29(18-8-6-5-7-9-18)22(20)28-23(27-21)24-14-16(2)3/h5-13,15-16H,4,14H2,1-3H3,(H2,24,26,27,28)