2-[6-azanyl-9-[2-(4-ethoxyphenoxy)ethyl]purin-8-yl]sulfanylethanamide

Systemtic Name: 2-[6-azanyl-9-[2-(4-ethoxyphenoxy)ethyl]purin-8-yl]sulfanylethanamide Openeye Name: 2-[6-amino-9-[2-(4-ethoxyphenoxy)ethyl]purin-8-yl]sulfanylacetamide CAS Name: 2-[[6-amino-9-[2-(4-ethoxyphenoxy)ethyl]-8-purinyl]thio]acetamide IUPAC Name: 2-[6-amino-9-[2-(4-ethoxyphenoxy)ethyl]purin-8-yl]sulfanylacetamide Traditional Name: 2-[[6-amino-9-[2-(4-ethoxyphenoxy)ethyl]purin-8-yl]thio]acetamide Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCC(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCC(=O)N

InChI

InChI=1S/C17H20N6O3S/c1-2-25-11-3-5-12(6-4-11)26-8-7-23-16-14(15(19)20-10-21-16)22-17(23)27-9-13(18)24/h3-6,10H,2,7-9H2,1H3,(H2,18,24)(H2,19,20,21)