5-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-6-(2-thienyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-6-thiophen-2-yl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-6-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-homoveratryl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C5=CC=CS5)OC

InChI

InChI=1S/C25H22N4O3S/c1-31-20-11-10-17(15-21(20)32-2)12-13-28-24(22-9-6-14-33-22)27-23-19(25(28)30)16-26-29(23)18-7-4-3-5-8-18/h3-11,14-16H,12-13H2,1-2H3