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

Systemtic Name: 6-[7-(2,2-dimethylbutanoyl)-1-methyl-2,6-bis(oxidanylidene)purin-3-yl]hexan-2-olate Openeye Name: 6-[7-(2,2-dimethylbutanoyl)-1-methyl-2,6-dioxo-purin-3-yl]hexan-2-olate CAS Name: 6-[7-(2,2-dimethyl-1-oxobutyl)-1-methyl-2,6-dioxo-3-purinyl]-2-hexanolate IUPAC Name: 6-[7-(2,2-dimethylbutanoyl)-1-methyl-2,6-dioxopurin-3-yl]hexan-2-olate Traditional Name: 6-[7-(2,2-dimethylbutanoyl)-2,6-diketo-1-methyl-purin-3-yl]hexan-2-olate Formula: C18H27N4O4- MolecularWeight: 363.43138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)N1C=NC2=C1C(=O)N(C(=O)N2CCCCC(C)[O-])C

Isomeric SMILES

CCC(C)(C)C(=O)N1C=NC2=C1C(=O)N(C(=O)N2CCCCC(C)[O-])C

InChI

InChI=1S/C18H27N4O4/c1-6-18(3,4)16(25)22-11-19-14-13(22)15(24)20(5)17(26)21(14)10-8-7-9-12(2)23/h11-12H,6-10H2,1-5H3/q-1