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

Systemtic Name: N4-(3-chloranyl-4-methoxy-phenyl)-1-methyl-N6-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-(3-chloro-4-methoxy-phenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-methoxyphenyl)-1-methyl-N6-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: benzyl-[4-(3-chloro-4-methoxy-anilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C20H19ClN6O MolecularWeight: 394.85746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)NCC3=CC=CC=C3)NC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)NCC3=CC=CC=C3)NC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C20H19ClN6O/c1-27-19-15(12-23-27)18(24-14-8-9-17(28-2)16(21)10-14)25-20(26-19)22-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H2,22,24,25,26)