18-[1-ethyl-2,6-bis(oxidanylidene)-3H-purin-7-yl]octadecan-4-olate

Systemtic Name: 18-[1-ethyl-2,6-bis(oxidanylidene)-3H-purin-7-yl]octadecan-4-olate Openeye Name: 18-(1-ethyl-2,6-dioxo-3H-purin-7-yl)octadecan-4-olate CAS Name: 18-(1-ethyl-2,6-dioxo-3H-purin-7-yl)-4-octadecanolate IUPAC Name: 18-(1-ethyl-2,6-dioxo-3H-purin-7-yl)octadecan-4-olate Traditional Name: 18-(1-ethyl-2,6-diketo-3H-purin-7-yl)octadecan-4-olate Formula: C25H43N4O3- MolecularWeight: 447.63392

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCCCCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2)CC)[O-]

Isomeric SMILES

CCCC(CCCCCCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2)CC)[O-]

InChI

InChI=1S/C25H43N4O3/c1-3-17-21(30)18-15-13-11-9-7-5-6-8-10-12-14-16-19-28-20-26-23-22(28)24(31)29(4-2)25(32)27-23/h20-21H,3-19H2,1-2H3,(H,27,32)/q-1