2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-(3-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C20H16ClN5 MolecularWeight: 361.82754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC=NC4=C3C=NN4C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC=NC4=C3C=NN4C5=CC(=CC=C5)Cl

InChI

InChI=1S/C20H16ClN5/c21-16-6-3-7-17(10-16)26-20-18(11-24-26)19(22-13-23-20)25-9-8-14-4-1-2-5-15(14)12-25/h1-7,10-11,13H,8-9,12H2