8-[[1-(phenylmethyl)benzimidazol-2-yl]methylsulfanyl]-7H-purin-6-amine

Systemtic Name: 8-[[1-(phenylmethyl)benzimidazol-2-yl]methylsulfanyl]-7H-purin-6-amine Openeye Name: 8-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-7H-purin-6-amine CAS Name: 8-[[1-(phenylmethyl)-2-benzimidazolyl]methylthio]-7H-purin-6-amine IUPAC Name: 8-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-7H-purin-6-amine Traditional Name: [8-[(1-benzylbenzimidazol-2-yl)methylthio]-7H-purin-6-yl]amine Formula: C20H17N7S MolecularWeight: 387.46088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CSC4=NC5=C(N4)C(=NC=N5)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CSC4=NC5=C(N4)C(=NC=N5)N

InChI

InChI=1S/C20H17N7S/c21-18-17-19(23-12-22-18)26-20(25-17)28-11-16-24-14-8-4-5-9-15(14)27(16)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H3,21,22,23,25,26)