5-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H23N5O4 MolecularWeight: 397.42772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C20H23N5O4/c1-23-19-15(10-22-23)20(27)25(12-21-19)7-5-18(26)24-6-4-13-8-16(28-2)17(29-3)9-14(13)11-24/h8-10,12H,4-7,11H2,1-3H3