8-(3,5-dimethylpyridin-1-ium-1-yl)-1,3-dimethyl-2-oxidanylidene-purin-6-olate

Systemtic Name: 8-(3,5-dimethylpyridin-1-ium-1-yl)-1,3-dimethyl-2-oxidanylidene-purin-6-olate Openeye Name: 8-(3,5-dimethylpyridin-1-ium-1-yl)-1,3-dimethyl-2-oxo-purin-6-olate CAS Name: 8-(3,5-dimethyl-1-pyridin-1-iumyl)-1,3-dimethyl-2-oxo-6-purinolate IUPAC Name: 8-(3,5-dimethylpyridin-1-ium-1-yl)-1,3-dimethyl-2-oxopurin-6-olate Traditional Name: 8-(3,5-dimethylpyridin-1-ium-1-yl)-2-keto-1,3-dimethyl-purin-6-olate Formula: C14H15N5O2 MolecularWeight: 285.3012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=NC3=C(N(C(=O)N(C3=N2)C)C)[O-])C

Isomeric SMILES

CC1=CC(=C[N+](=C1)C2=NC3=C(N(C(=O)N(C3=N2)C)C)[O-])C

InChI

InChI=1S/C14H15N5O2/c1-8-5-9(2)7-19(6-8)13-15-10-11(16-13)17(3)14(21)18(4)12(10)20/h5-7H,1-4H3