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

Systemtic Name: N4-(4-methoxyphenyl)-1-methyl-N6-phenethyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(4-methoxyphenyl)-1-methyl-N6-phenethyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-methoxyphenyl)-1-methyl-N6-phenethylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methoxyphenyl)-1-methyl-6-N-phenethylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: (4-methoxyphenyl)-[1-methyl-6-(phenethylamino)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)NCCC3=CC=CC=C3)NC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)NCCC3=CC=CC=C3)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H22N6O/c1-27-20-18(14-23-27)19(24-16-8-10-17(28-2)11-9-16)25-21(26-20)22-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H2,22,24,25,26)