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

Systemtic Name: 1-[3-methyl-1-(1-oxidanidyloctyl)-2,6-bis(oxidanylidene)purin-7-yl]octan-1-olate Openeye Name: 1-[3-methyl-1-(1-oxidooctyl)-2,6-dioxo-purin-7-yl]octan-1-olate CAS Name: 1-[3-methyl-1-(1-oxidooctyl)-2,6-dioxo-7-purinyl]-1-octanolate IUPAC Name: 1-[3-methyl-1-(1-oxidooctyl)-2,6-dioxopurin-7-yl]octan-1-olate Traditional Name: 1-[2,6-diketo-3-methyl-1-(1-oxidooctyl)purin-7-yl]octan-1-olate Formula: C22H36N4O4-2 MolecularWeight: 420.54564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CCCCCCC)[O-])[O-]

Isomeric SMILES

CCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CCCCCCC)[O-])[O-]

InChI

InChI=1S/C22H36N4O4/c1-4-6-8-10-12-14-17(27)25-16-23-20-19(25)21(29)26(22(30)24(20)3)18(28)15-13-11-9-7-5-2/h16-18H,4-15H2,1-3H3/q-2