8-[2-(4-methoxyphenoxy)ethylsulfanyl]-9-(2-phenoxyethyl)purin-6-amine

Systemtic Name: 8-[2-(4-methoxyphenoxy)ethylsulfanyl]-9-(2-phenoxyethyl)purin-6-amine Openeye Name: 8-[2-(4-methoxyphenoxy)ethylsulfanyl]-9-(2-phenoxyethyl)purin-6-amine CAS Name: 8-[2-(4-methoxyphenoxy)ethylthio]-9-(2-phenoxyethyl)-6-purinamine IUPAC Name: 8-[2-(4-methoxyphenoxy)ethylsulfanyl]-9-(2-phenoxyethyl)purin-6-amine Traditional Name: [8-[2-(4-methoxyphenoxy)ethylthio]-9-(2-phenoxyethyl)purin-6-yl]amine Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCSC2=NC3=C(N2CCOC4=CC=CC=C4)N=CN=C3N

Isomeric SMILES

COC1=CC=C(C=C1)OCCSC2=NC3=C(N2CCOC4=CC=CC=C4)N=CN=C3N

InChI

InChI=1S/C22H23N5O3S/c1-28-16-7-9-18(10-8-16)30-13-14-31-22-26-19-20(23)24-15-25-21(19)27(22)11-12-29-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H2,23,24,25)