4-[(3,4-dichlorophenyl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(3,4-dichlorophenyl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(3,4-dichlorophenyl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(3,4-dichlorophenyl)methylthio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(3,4-dichlorophenyl)methylsulfanyl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(3,4-dichlorobenzyl)thio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C13H10Cl2N4S MolecularWeight: 325.2163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10Cl2N4S/c1-19-12-9(5-18-19)13(17-7-16-12)20-6-8-2-3-10(14)11(15)4-8/h2-5,7H,6H2,1H3