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

Systemtic Name: 6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O4S/c26-16(13-6-7-17-18(10-13)29-9-8-28-17)12-30-21-23-19-15(11-22-24-19)20(27)25(21)14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2,(H,22,24)