1-[3-methyl-1-(1-oxidanidyldecyl)-2,6-bis(oxidanylidene)purin-7-yl]decan-1-olate

Systemtic Name: 1-[3-methyl-1-(1-oxidanidyldecyl)-2,6-bis(oxidanylidene)purin-7-yl]decan-1-olate Openeye Name: 1-[3-methyl-1-(1-oxidodecyl)-2,6-dioxo-purin-7-yl]decan-1-olate CAS Name: 1-[3-methyl-1-(1-oxidodecyl)-2,6-dioxo-7-purinyl]-1-decanolate IUPAC Name: 1-[3-methyl-1-(1-oxidodecyl)-2,6-dioxopurin-7-yl]decan-1-olate Traditional Name: 1-[2,6-diketo-3-methyl-1-(1-oxidodecyl)purin-7-yl]decan-1-olate Formula: C26H44N4O4-2 MolecularWeight: 476.65196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CCCCCCCCC)[O-])[O-]

Isomeric SMILES

CCCCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CCCCCCCCC)[O-])[O-]

InChI

InChI=1S/C26H44N4O4/c1-4-6-8-10-12-14-16-18-21(31)29-20-27-24-23(29)25(33)30(26(34)28(24)3)22(32)19-17-15-13-11-9-7-5-2/h20-22H,4-19H2,1-3H3/q-2