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

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-5-(4-ethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-5-(4-ethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-5-(4-ethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-5-(4-ethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-5-(4-ethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4COC5=CC=CC=C5O4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4COC5=CC=CC=C5O4

InChI

InChI=1S/C22H20N4O3S/c1-2-14-7-9-15(10-8-14)26-21(27)17-11-23-25-20(17)24-22(26)30-13-16-12-28-18-5-3-4-6-19(18)29-16/h3-11,16H,2,12-13H2,1H3,(H,23,25)