5-[3-(6,7-dimethoxy-1-thiophen-2-yl-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-1-thiophen-2-yl-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-1-(2-thienyl)-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-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-keto-propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C24H25N5O4S MolecularWeight: 479.5514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N3CCC4=CC(=C(C=C4C3C5=CC=CS5)OC)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N3CCC4=CC(=C(C=C4C3C5=CC=CS5)OC)OC

InChI

InChI=1S/C24H25N5O4S/c1-27-23-17(13-26-27)24(31)28(14-25-23)8-7-21(30)29-9-6-15-11-18(32-2)19(33-3)12-16(15)22(29)20-5-4-10-34-20/h4-5,10-14,22H,6-9H2,1-3H3