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

Systemtic Name: N4-(4-ethoxyphenyl)-N6-[(4-methylphenyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(4-ethoxyphenyl)-1-phenyl-N6-(p-tolylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-ethoxyphenyl)-N6-[(4-methylphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-ethoxyphenyl)-6-N-[(4-methylphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: (4-methylbenzyl)-[1-phenyl-4-(p-phenetidino)pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C27H26N6O MolecularWeight: 450.53494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCC5=CC=C(C=C5)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCC5=CC=C(C=C5)C

InChI

InChI=1S/C27H26N6O/c1-3-34-23-15-13-21(14-16-23)30-25-24-18-29-33(22-7-5-4-6-8-22)26(24)32-27(31-25)28-17-20-11-9-19(2)10-12-20/h4-16,18H,3,17H2,1-2H3,(H2,28,30,31,32)