ethyl 2-[9-butyl-2-[(6-ethoxypyridin-3-yl)amino]purin-6-yl]oxyethanoate

Systemtic Name: ethyl 2-[9-butyl-2-[(6-ethoxypyridin-3-yl)amino]purin-6-yl]oxyethanoate Openeye Name: ethyl 2-[9-butyl-2-[(6-ethoxy-3-pyridyl)amino]purin-6-yl]oxyacetate CAS Name: 2-[[9-butyl-2-[(6-ethoxy-3-pyridinyl)amino]-6-purinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[9-butyl-2-[(6-ethoxypyridin-3-yl)amino]purin-6-yl]oxyacetate Traditional Name: 2-[9-butyl-2-[(6-ethoxy-3-pyridyl)amino]purin-6-yl]oxyacetic acid ethyl ester Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2OCC(=O)OCC)NC3=CN=C(C=C3)OCC

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2OCC(=O)OCC)NC3=CN=C(C=C3)OCC

InChI

InChI=1S/C20H26N6O4/c1-4-7-10-26-13-22-17-18(26)24-20(25-19(17)30-12-16(27)29-6-3)23-14-8-9-15(21-11-14)28-5-2/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,23,24,25)