8-(2-phenoxyethylsulfanyl)-3-(phenylmethyl)purin-6-amine

Systemtic Name: 8-(2-phenoxyethylsulfanyl)-3-(phenylmethyl)purin-6-amine Openeye Name: 3-benzyl-8-(2-phenoxyethylsulfanyl)purin-6-amine CAS Name: 8-(2-phenoxyethylthio)-3-(phenylmethyl)-6-purinamine IUPAC Name: 3-benzyl-8-(2-phenoxyethylsulfanyl)purin-6-amine Traditional Name: [3-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)CN2C=NC(=C3C2=NC(=N3)SCCOC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=C3C2=NC(=N3)SCCOC4=CC=CC=C4)N

InChI

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