4-(1H-benzimidazol-2-ylmethylsulfanyl)-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(1H-benzimidazol-2-ylmethylthio)-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(1H-benzimidazol-2-ylmethylthio)-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C14H12N6S MolecularWeight: 296.35028

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C14H12N6S/c1-20-13-9(6-17-20)14(16-8-15-13)21-7-12-18-10-4-2-3-5-11(10)19-12/h2-6,8H,7H2,1H3,(H,18,19)