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

Systemtic Name: 1,3-dimethyl-8-(3-methylpyridin-1-ium-1-yl)-2-oxidanylidene-purin-6-olate Openeye Name: 1,3-dimethyl-8-(3-methylpyridin-1-ium-1-yl)-2-oxo-purin-6-olate CAS Name: 1,3-dimethyl-8-(3-methyl-1-pyridin-1-iumyl)-2-oxo-6-purinolate IUPAC Name: 1,3-dimethyl-8-(3-methylpyridin-1-ium-1-yl)-2-oxopurin-6-olate Traditional Name: 2-keto-1,3-dimethyl-8-(3-methylpyridin-1-ium-1-yl)purin-6-olate Formula: C13H13N5O2 MolecularWeight: 271.27462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O2/c1-8-5-4-6-18(7-8)12-14-9-10(15-12)16(2)13(20)17(3)11(9)19/h4-7H,1-3H3