9-(6-oxidanylidene-3,7-dihydropurin-8-yl)nonyl 4-oxidanylidenebutanoate

Systemtic Name: 9-(6-oxidanylidene-3,7-dihydropurin-8-yl)nonyl 4-oxidanylidenebutanoate Openeye Name: 9-(6-oxo-3,7-dihydropurin-8-yl)nonyl 4-oxobutanoate CAS Name: 4-oxobutanoic acid 9-(6-oxo-3,7-dihydropurin-8-yl)nonyl ester IUPAC Name: 9-(6-oxo-3,7-dihydropurin-8-yl)nonyl 4-oxobutanoate Traditional Name: 4-ketobutyric acid 9-(6-keto-3,7-dihydropurin-8-yl)nonyl ester Formula: C18H26N4O4 MolecularWeight: 362.42344

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N=C(N2)CCCCCCCCCOC(=O)CCC=O

Isomeric SMILES

C1=NC(=O)C2=C(N1)N=C(N2)CCCCCCCCCOC(=O)CCC=O

InChI

InChI=1S/C18H26N4O4/c23-11-8-10-15(24)26-12-7-5-3-1-2-4-6-9-14-21-16-17(22-14)19-13-20-18(16)25/h11,13H,1-10,12H2,(H2,19,20,21,22,25)