4-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C19H13ClN4O2S MolecularWeight: 396.85012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClN4O2S/c20-15-6-12(7-16-17(15)26-11-25-16)9-27-19-14-8-23-24(18(14)21-10-22-19)13-4-2-1-3-5-13/h1-8,10H,9,11H2