8-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-9-(phenylmethyl)purin-6-amine

Systemtic Name: 8-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-8-[(1-methylbenzimidazol-2-yl)methylsulfanyl]purin-6-amine CAS Name: 8-[(1-methyl-2-benzimidazolyl)methylthio]-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-8-[(1-methylbenzimidazol-2-yl)methylsulfanyl]purin-6-amine Traditional Name: [9-benzyl-8-[(1-methylbenzimidazol-2-yl)methylthio]purin-6-yl]amine Formula: C21H19N7S MolecularWeight: 401.48746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CSC3=NC4=C(N3CC5=CC=CC=C5)N=CN=C4N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CSC3=NC4=C(N3CC5=CC=CC=C5)N=CN=C4N

InChI

InChI=1S/C21H19N7S/c1-27-16-10-6-5-9-15(16)25-17(27)12-29-21-26-18-19(22)23-13-24-20(18)28(21)11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H2,22,23,24)