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

Systemtic Name: 8-[2-[1-(phenylmethyl)benzimidazol-2-yl]ethylsulfanyl]-7H-purin-6-amine Openeye Name: 8-[2-(1-benzylbenzimidazol-2-yl)ethylsulfanyl]-7H-purin-6-amine CAS Name: 8-[2-[1-(phenylmethyl)-2-benzimidazolyl]ethylthio]-7H-purin-6-amine IUPAC Name: 8-[2-(1-benzylbenzimidazol-2-yl)ethylsulfanyl]-7H-purin-6-amine Traditional Name: [8-[2-(1-benzylbenzimidazol-2-yl)ethylthio]-7H-purin-6-yl]amine Formula: C21H19N7S MolecularWeight: 401.48746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCSC4=NC5=C(N4)C(=NC=N5)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCSC4=NC5=C(N4)C(=NC=N5)N

InChI

InChI=1S/C21H19N7S/c22-19-18-20(24-13-23-19)27-21(26-18)29-11-10-17-25-15-8-4-5-9-16(15)28(17)12-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H3,22,23,24,26,27)