8-[2-(4-propoxyphenoxy)ethylsulfanyl]-7H-purin-6-amine

Systemtic Name: 8-[2-(4-propoxyphenoxy)ethylsulfanyl]-7H-purin-6-amine Openeye Name: 8-[2-(4-propoxyphenoxy)ethylsulfanyl]-7H-purin-6-amine CAS Name: 8-[2-(4-propoxyphenoxy)ethylthio]-7H-purin-6-amine IUPAC Name: 8-[2-(4-propoxyphenoxy)ethylsulfanyl]-7H-purin-6-amine Traditional Name: [8-[2-(4-propoxyphenoxy)ethylthio]-7H-purin-6-yl]amine Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCCSC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCCSC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C16H19N5O2S/c1-2-7-22-11-3-5-12(6-4-11)23-8-9-24-16-20-13-14(17)18-10-19-15(13)21-16/h3-6,10H,2,7-9H2,1H3,(H3,17,18,19,20,21)