6-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-7H-purine

Systemtic Name: 6-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-7H-purine Openeye Name: 6-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-7H-purine CAS Name: 6-[(1-methyl-2-benzimidazolyl)methylthio]-7H-purine IUPAC Name: 6-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-7H-purine Traditional Name: 6-[(1-methylbenzimidazol-2-yl)methylthio]-7H-purine Formula: C14H12N6S MolecularWeight: 296.35028

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CSC3=NC=NC4=C3NC=N4

InChI

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