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

Systemtic Name: 6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C24H23N5O4S MolecularWeight: 477.53552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5)OC

InChI

InChI=1S/C24H23N5O4S/c1-32-19-10-15-8-9-28(13-16(15)11-20(19)33-2)21(30)14-34-24-26-22-18(12-25-27-22)23(31)29(24)17-6-4-3-5-7-17/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,25,27)