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disodium 1,3-dimethyl-2-oxidanylidene-purin-6-olate ethanoate

disodium 1,3-dimethyl-2-oxidanylidene-purin-6-olate ethanoate

Systemtic Name:disodium 1,3-dimethyl-2-oxidanylidene-purin-6-olate ethanoate
Openeye Name:disodium 1,3-dimethyl-2-oxo-purin-6-olate acetate
CAS Name:disodium 1,3-dimethyl-2-oxo-6-purinolate acetate
IUPAC Name:disodium 1,3-dimethyl-2-oxopurin-6-olate acetate
Traditional Name:disodium 2-keto-1,3-dimethyl-purin-6-olate acetate
Formula: C9H10N4Na2O4
MolecularWeight: 284.17964
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].[Na+].[Na+]


Isomeric SMILES

CC(=O)[O-].CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].[Na+].[Na+]


InChI

InChI=1S/C7H8N4O2.C2H4O2.2Na/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-2(3)4;;/h3,12H,1-2H3;1H3,(H,3,4);;/q;;2*+1/p-2


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