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

Systemtic Name: 1-[3-methyl-1-(1-oxidanidylhexyl)-2,6-bis(oxidanylidene)purin-7-yl]hexan-1-olate Openeye Name: 1-[3-methyl-1-(1-oxidohexyl)-2,6-dioxo-purin-7-yl]hexan-1-olate CAS Name: 1-[3-methyl-1-(1-oxidohexyl)-2,6-dioxo-7-purinyl]-1-hexanolate IUPAC Name: 1-[3-methyl-1-(1-oxidohexyl)-2,6-dioxopurin-7-yl]hexan-1-olate Traditional Name: 1-[2,6-diketo-3-methyl-1-(1-oxidohexyl)purin-7-yl]hexan-1-olate Formula: C18H28N4O4-2 MolecularWeight: 364.43932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CCCCC)[O-])[O-]

Isomeric SMILES

CCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CCCCC)[O-])[O-]

InChI

InChI=1S/C18H28N4O4/c1-4-6-8-10-13(23)21-12-19-16-15(21)17(25)22(18(26)20(16)3)14(24)11-9-7-5-2/h12-14H,4-11H2,1-3H3/q-2