6-[3-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[3-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[3-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[3-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[3-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[3-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H29N5O4 MolecularWeight: 487.55026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5)OCC

InChI

InChI=1S/C27H29N5O4/c1-3-35-22-14-18-12-13-31(17-19(18)15-23(22)36-4-2)25(33)11-10-24-29-26-21(27(34)30-24)16-28-32(26)20-8-6-5-7-9-20/h5-9,14-16,28H,3-4,10-13,17H2,1-2H3