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

Systemtic Name: 8-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]octan-2-olate Openeye Name: 8-(3,7-dimethyl-2,6-dioxo-purin-1-yl)octan-2-olate CAS Name: 8-(3,7-dimethyl-2,6-dioxo-1-purinyl)-2-octanolate IUPAC Name: 8-(3,7-dimethyl-2,6-dioxopurin-1-yl)octan-2-olate Traditional Name: 8-(2,6-diketo-3,7-dimethyl-purin-1-yl)octan-2-olate Formula: C15H23N4O3- MolecularWeight: 307.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

Isomeric SMILES

CC(CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

InChI

InChI=1S/C15H23N4O3/c1-11(20)8-6-4-5-7-9-19-14(21)12-13(16-10-17(12)2)18(3)15(19)22/h10-11H,4-9H2,1-3H3/q-1