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

Systemtic Name: N4-(4-ethoxyphenyl)-N6-phenethyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(4-ethoxyphenyl)-N6-phenethyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-ethoxyphenyl)-N6-phenethyl-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-ethoxyphenyl)-6-N-phenethyl-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: phenethyl-[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)NCCC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCCC5=CC=CC=C5

InChI

InChI=1S/C27H26N6O/c1-2-34-23-15-13-21(14-16-23)30-25-24-19-29-33(22-11-7-4-8-12-22)26(24)32-27(31-25)28-18-17-20-9-5-3-6-10-20/h3-16,19H,2,17-18H2,1H3,(H2,28,30,31,32)