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

Systemtic Name: 6-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H13ClN4O3S MolecularWeight: 412.84952

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClN4O3S/c20-14-7-16-15(26-10-27-16)6-11(14)9-28-19-22-17-13(8-21-23-17)18(25)24(19)12-4-2-1-3-5-12/h1-8H,9-10H2,(H,21,23)