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

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(1,3-benzodioxol-5-ylmethylthio)-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-phenyl-6-(piperonylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H14N4O3S MolecularWeight: 378.40446

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C19H14N4O3S/c24-18-14-9-20-22-17(14)21-19(23(18)13-4-2-1-3-5-13)27-10-12-6-7-15-16(8-12)26-11-25-15/h1-9H,10-11H2,(H,20,22)