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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)[O-]

Isomeric SMILES

CC(CCCCCCCCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)[O-]

InChI

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