8-(2-phenoxyethylsulfanyl)-9-(phenylmethyl)purin-6-amine

Systemtic Name: 8-(2-phenoxyethylsulfanyl)-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-8-(2-phenoxyethylsulfanyl)purin-6-amine CAS Name: 8-(2-phenoxyethylthio)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-8-(2-phenoxyethylsulfanyl)purin-6-amine Traditional Name: [9-benzyl-8-(2-phenoxyethylthio)purin-6-yl]amine Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2SCCOC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2SCCOC4=CC=CC=C4

InChI

InChI=1S/C20H19N5OS/c21-18-17-19(23-14-22-18)25(13-15-7-3-1-4-8-15)20(24-17)27-12-11-26-16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H2,21,22,23)