9-[1-(2,2-dimethylpropanoyl)-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]nonan-1-olate

Systemtic Name: 9-[1-(2,2-dimethylpropanoyl)-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]nonan-1-olate Openeye Name: 9-[1-(2,2-dimethylpropanoyl)-3,7-dimethyl-2,6-dioxo-purin-8-yl]nonan-1-olate CAS Name: 9-[1-(2,2-dimethyl-1-oxopropyl)-3,7-dimethyl-2,6-dioxo-8-purinyl]-1-nonanolate IUPAC Name: 9-[1-(2,2-dimethylpropanoyl)-3,7-dimethyl-2,6-dioxopurin-8-yl]nonan-1-olate Traditional Name: 9-(2,6-diketo-3,7-dimethyl-1-pivaloyl-purin-8-yl)nonan-1-olate Formula: C21H33N4O4- MolecularWeight: 405.51112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1C(=O)C2=C(N=C(N2C)CCCCCCCCC[O-])N(C1=O)C

Isomeric SMILES

CC(C)(C)C(=O)N1C(=O)C2=C(N=C(N2C)CCCCCCCCC[O-])N(C1=O)C

InChI

InChI=1S/C21H33N4O4/c1-21(2,3)19(28)25-18(27)16-17(24(5)20(25)29)22-15(23(16)4)13-11-9-7-6-8-10-12-14-26/h6-14H2,1-5H3/q-1