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2-[6-azanyl-9-[2-(4-ethoxyphenoxy)ethyl]purin-8-yl]sulfanylethanoate
2-[6-azanyl-9-[2-(4-ethoxyphenoxy)ethyl]purin-8-yl]sulfanylethanoate
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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)/p-1
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