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

Systemtic Name: 2-[6-azanyl-9-[2-(4-ethoxyphenoxy)ethyl]purin-8-yl]sulfanylethanoic acid Openeye Name: 2-[6-amino-9-[2-(4-ethoxyphenoxy)ethyl]purin-8-yl]sulfanylacetic acid CAS Name: 2-[[6-amino-9-[2-(4-ethoxyphenoxy)ethyl]-8-purinyl]thio]acetic acid IUPAC Name: 2-[6-amino-9-[2-(4-ethoxyphenoxy)ethyl]purin-8-yl]sulfanylacetic acid Traditional Name: 2-[[6-amino-9-[2-(4-ethoxyphenoxy)ethyl]purin-8-yl]thio]acetic acid Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4S/c1-2-25-11-3-5-12(6-4-11)26-8-7-22-16-14(15(18)19-10-20-16)21-17(22)27-9-13(23)24/h3-6,10H,2,7-9H2,1H3,(H,23,24)(H2,18,19,20)