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

Systemtic Name: N4-(3-methoxyphenyl)-1-methyl-N6-phenethyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-methoxyphenyl)-1-methyl-N6-phenethyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-methoxyphenyl)-1-methyl-N6-phenethylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methoxyphenyl)-1-methyl-6-N-phenethylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(m-anisidino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]-phenethyl-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(=CC=C4)OC

Isomeric SMILES

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

InChI

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