8-[2-(3-methylphenoxy)ethylsulfanyl]-9-(2-phenoxyethyl)purin-6-amine

Systemtic Name: 8-[2-(3-methylphenoxy)ethylsulfanyl]-9-(2-phenoxyethyl)purin-6-amine Openeye Name: 8-[2-(3-methylphenoxy)ethylsulfanyl]-9-(2-phenoxyethyl)purin-6-amine CAS Name: 8-[2-(3-methylphenoxy)ethylthio]-9-(2-phenoxyethyl)-6-purinamine IUPAC Name: 8-[2-(3-methylphenoxy)ethylsulfanyl]-9-(2-phenoxyethyl)purin-6-amine Traditional Name: [8-[2-(3-methylphenoxy)ethylthio]-9-(2-phenoxyethyl)purin-6-yl]amine Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCSC2=NC3=C(N2CCOC4=CC=CC=C4)N=CN=C3N

Isomeric SMILES

CC1=CC(=CC=C1)OCCSC2=NC3=C(N2CCOC4=CC=CC=C4)N=CN=C3N

InChI

InChI=1S/C22H23N5O2S/c1-16-6-5-9-18(14-16)29-12-13-30-22-26-19-20(23)24-15-25-21(19)27(22)10-11-28-17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3,(H2,23,24,25)