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

Systemtic Name: 6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-olate Openeye Name: 6-(3,7-dimethyl-2,6-dioxo-purin-1-yl)hexan-2-olate CAS Name: 6-(3,7-dimethyl-2,6-dioxo-1-purinyl)-2-hexanolate IUPAC Name: 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-olate Traditional Name: 6-(2,6-diketo-3,7-dimethyl-purin-1-yl)hexan-2-olate Formula: C13H19N4O3- MolecularWeight: 279.31496

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

InChI

InChI=1S/C13H19N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9H,4-7H2,1-3H3/q-1