3-[6-oxidanylidene-2-(2-propoxyphenyl)-3H-purin-9-yl]nonan-2-yl ethanoate

Systemtic Name: 3-[6-oxidanylidene-2-(2-propoxyphenyl)-3H-purin-9-yl]nonan-2-yl ethanoate Openeye Name: [1-methyl-2-[6-oxo-2-(2-propoxyphenyl)-3H-purin-9-yl]octyl] acetate CAS Name: acetic acid 3-[6-oxo-2-(2-propoxyphenyl)-3H-purin-9-yl]nonan-2-yl ester IUPAC Name: 3-[6-oxo-2-(2-propoxyphenyl)-3H-purin-9-yl]nonan-2-yl acetate Traditional Name: acetic acid [2-[6-keto-2-(2-propoxyphenyl)-3H-purin-9-yl]-1-methyl-octyl] ester Formula: C25H34N4O4 MolecularWeight: 454.56186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)OC(=O)C)N1C=NC2=C1NC(=NC2=O)C3=CC=CC=C3OCCC

Isomeric SMILES

CCCCCCC(C(C)OC(=O)C)N1C=NC2=C1NC(=NC2=O)C3=CC=CC=C3OCCC

InChI

InChI=1S/C25H34N4O4/c1-5-7-8-9-13-20(17(3)33-18(4)30)29-16-26-22-24(29)27-23(28-25(22)31)19-12-10-11-14-21(19)32-15-6-2/h10-12,14,16-17,20H,5-9,13,15H2,1-4H3,(H,27,28,31)