4-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C15H13ClN4O2S/c1-20-14-10(6-19-20)15(18-8-17-14)23-7-9-4-11(16)13-12(5-9)21-2-3-22-13/h4-6,8H,2-3,7H2,1H3