6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylthio)-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylthio)-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H16N4O3S MolecularWeight: 392.43104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C20H16N4O3S/c25-19-15-11-21-23-18(15)22-20(24(19)14-4-2-1-3-5-14)28-12-13-6-7-16-17(10-13)27-9-8-26-16/h1-7,10-11H,8-9,12H2,(H,21,23)