6-[4-(3-chlorophenyl)piperazin-1-yl]-1-methyl-N-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-1-methyl-N-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-1-methyl-N-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-1-methyl-N-phenyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-1-methyl-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]-phenyl-amine Formula: C22H22ClN7 MolecularWeight: 419.90998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)NC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)NC5=CC=CC=C5

InChI

InChI=1S/C22H22ClN7/c1-28-21-19(15-24-28)20(25-17-7-3-2-4-8-17)26-22(27-21)30-12-10-29(11-13-30)18-9-5-6-16(23)14-18/h2-9,14-15H,10-13H2,1H3,(H,25,26,27)