1-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]octadecan-9-olate

Systemtic Name: 1-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]octadecan-9-olate Openeye Name: 1-(3,7-dimethyl-2,6-dioxo-purin-1-yl)octadecan-9-olate CAS Name: 1-(3,7-dimethyl-2,6-dioxo-1-purinyl)-9-octadecanolate IUPAC Name: 1-(3,7-dimethyl-2,6-dioxopurin-1-yl)octadecan-9-olate Traditional Name: 1-(2,6-diketo-3,7-dimethyl-purin-1-yl)octadecan-9-olate Formula: C25H43N4O3- MolecularWeight: 447.63392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

Isomeric SMILES

CCCCCCCCCC(CCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

InChI

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