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

Systemtic Name: 8-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]-7H-purin-6-amine Openeye Name: 8-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]-7H-purin-6-amine CAS Name: 8-[2-(1H-benzimidazol-2-yl)ethylthio]-7H-purin-6-amine IUPAC Name: 8-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]-7H-purin-6-amine Traditional Name: [8-[2-(1H-benzimidazol-2-yl)ethylthio]-7H-purin-6-yl]amine Formula: C14H13N7S MolecularWeight: 311.36492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CCSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C14H13N7S/c15-12-11-13(17-7-16-12)21-14(20-11)22-6-5-10-18-8-3-1-2-4-9(8)19-10/h1-4,7H,5-6H2,(H,18,19)(H3,15,16,17,20,21)