4-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(1,3-benzodioxol-5-ylmethylthio)-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-phenyl-4-(piperonylthio)pyrazolo[3,4-d]pyrimidine Formula: C19H14N4O2S MolecularWeight: 362.40506

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C19H14N4O2S/c1-2-4-14(5-3-1)23-18-15(9-22-23)19(21-11-20-18)26-10-13-6-7-16-17(8-13)25-12-24-16/h1-9,11H,10,12H2