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

Systemtic Name: 7-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]heptan-2-olate Openeye Name: 7-(3,7-dimethyl-2,6-dioxo-purin-1-yl)heptan-2-olate CAS Name: 7-(3,7-dimethyl-2,6-dioxo-1-purinyl)-2-heptanolate IUPAC Name: 7-(3,7-dimethyl-2,6-dioxopurin-1-yl)heptan-2-olate Traditional Name: 7-(2,6-diketo-3,7-dimethyl-purin-1-yl)heptan-2-olate Formula: C14H21N4O3- MolecularWeight: 293.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

Isomeric SMILES

CC(CCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)[O-]

InChI

InChI=1S/C14H21N4O3/c1-10(19)7-5-4-6-8-18-13(20)11-12(15-9-16(11)2)17(3)14(18)21/h9-10H,4-8H2,1-3H3/q-1