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

Systemtic Name: 8-(1H-benzimidazol-2-ylmethylsulfanyl)-9-(2-phenoxyethyl)purin-6-amine Openeye Name: 8-(1H-benzimidazol-2-ylmethylsulfanyl)-9-(2-phenoxyethyl)purin-6-amine CAS Name: 8-(1H-benzimidazol-2-ylmethylthio)-9-(2-phenoxyethyl)-6-purinamine IUPAC Name: 8-(1H-benzimidazol-2-ylmethylsulfanyl)-9-(2-phenoxyethyl)purin-6-amine Traditional Name: [8-(1H-benzimidazol-2-ylmethylthio)-9-(2-phenoxyethyl)purin-6-yl]amine Formula: C21H19N7OS MolecularWeight: 417.48686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H19N7OS/c22-19-18-20(24-13-23-19)28(10-11-29-14-6-2-1-3-7-14)21(27-18)30-12-17-25-15-8-4-5-9-16(15)26-17/h1-9,13H,10-12H2,(H,25,26)(H2,22,23,24)