8-(1H-benzimidazol-2-ylmethylsulfanyl)-9-(phenylmethyl)purin-6-amine

Systemtic Name: 8-(1H-benzimidazol-2-ylmethylsulfanyl)-9-(phenylmethyl)purin-6-amine Openeye Name: 8-(1H-benzimidazol-2-ylmethylsulfanyl)-9-benzyl-purin-6-amine CAS Name: 8-(1H-benzimidazol-2-ylmethylthio)-9-(phenylmethyl)-6-purinamine IUPAC Name: 8-(1H-benzimidazol-2-ylmethylsulfanyl)-9-benzylpurin-6-amine Traditional Name: [8-(1H-benzimidazol-2-ylmethylthio)-9-benzyl-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=C(C(=NC=N3)N)N=C2SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2SCC4=NC5=CC=CC=C5N4

InChI

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