5-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]pentan-2-olate

Systemtic Name: 5-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]pentan-2-olate Openeye Name: 5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)pentan-2-olate CAS Name: 5-(3,7-dimethyl-2,6-dioxo-1-purinyl)-2-pentanolate IUPAC Name: 5-(3,7-dimethyl-2,6-dioxopurin-1-yl)pentan-2-olate Traditional Name: 5-(2,6-diketo-3,7-dimethyl-purin-1-yl)pentan-2-olate Formula: C12H17N4O3- MolecularWeight: 265.28838

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

Isomeric SMILES

CC(CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

InChI

InChI=1S/C12H17N4O3/c1-8(17)5-4-6-16-11(18)9-10(13-7-14(9)2)15(3)12(16)19/h7-8H,4-6H2,1-3H3/q-1