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

Systemtic Name: N4-(3-chloranyl-4-methoxy-phenyl)-1-methyl-N6-phenethyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-4-methoxy-phenyl)-1-methyl-N6-phenethyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-methoxyphenyl)-1-methyl-N6-phenethylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-methoxyphenyl)-1-methyl-6-N-phenethylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-chloro-4-methoxy-anilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]-phenethyl-amine Formula: C21H21ClN6O MolecularWeight: 408.88404

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(=C(C=C4)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN6O/c1-28-20-16(13-24-28)19(25-15-8-9-18(29-2)17(22)12-15)26-21(27-20)23-11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H2,23,25,26,27)