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

Systemtic Name: 1-[1-(1-oxidanidylhexyl)-2,6-bis(oxidanylidene)-3-propyl-purin-7-yl]hexan-1-olate Openeye Name: 1-[1-(1-oxidohexyl)-2,6-dioxo-3-propyl-purin-7-yl]hexan-1-olate CAS Name: 1-[1-(1-oxidohexyl)-2,6-dioxo-3-propyl-7-purinyl]-1-hexanolate IUPAC Name: 1-[1-(1-oxidohexyl)-2,6-dioxo-3-propylpurin-7-yl]hexan-1-olate Traditional Name: 1-[2,6-diketo-1-(1-oxidohexyl)-3-propyl-purin-7-yl]hexan-1-olate Formula: C20H32N4O4-2 MolecularWeight: 392.49248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2CCC)C(CCCCC)[O-])[O-]

Isomeric SMILES

CCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2CCC)C(CCCCC)[O-])[O-]

InChI

InChI=1S/C20H32N4O4/c1-4-7-9-11-15(25)23-14-21-18-17(23)19(27)24(16(26)12-10-8-5-2)20(28)22(18)13-6-3/h14-16H,4-13H2,1-3H3/q-2