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

Systemtic Name: 1-[3-methyl-1-(1-oxidanidylpentadecyl)-2,6-bis(oxidanylidene)purin-7-yl]pentadecan-1-olate Openeye Name: 1-[3-methyl-1-(1-oxidopentadecyl)-2,6-dioxo-purin-7-yl]pentadecan-1-olate CAS Name: 1-[3-methyl-1-(1-oxidopentadecyl)-2,6-dioxo-7-purinyl]-1-pentadecanolate IUPAC Name: 1-[3-methyl-1-(1-oxidopentadecyl)-2,6-dioxopurin-7-yl]pentadecan-1-olate Traditional Name: 1-[2,6-diketo-3-methyl-1-(1-oxidopentadecyl)purin-7-yl]pentadecan-1-olate Formula: C36H64N4O4-2 MolecularWeight: 616.91776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CCCCCCCCCCCCCC)[O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CCCCCCCCCCCCCC)[O-])[O-]

InChI

InChI=1S/C36H64N4O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-31(41)39-30-37-34-33(39)35(43)40(36(44)38(34)3)32(42)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h30-32H,4-29H2,1-3H3/q-2