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

Systemtic Name: N4-(3-chlorophenyl)-1-methyl-N6-phenethyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-chlorophenyl)-1-methyl-N6-phenethyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-1-methyl-N6-phenethylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chlorophenyl)-1-methyl-6-N-phenethylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-chloroanilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]-phenethyl-amine Formula: C20H19ClN6 MolecularWeight: 378.85806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN6/c1-27-19-17(13-23-27)18(24-16-9-5-8-15(21)12-16)25-20(26-19)22-11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H2,22,24,25,26)