4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C15H13ClN4O2S MolecularWeight: 348.80732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C15H13ClN4O2S/c1-20-14-12(4-19-20)15(18-7-17-14)23-6-10-3-11(16)2-9-5-21-8-22-13(9)10/h2-4,7H,5-6,8H2,1H3