2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-methylpyridin-1-ium-2-yl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-methylpyridin-1-ium-2-yl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-methylpyridin-1-ium-2-yl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(4-methyl-2-pyridin-1-iumyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylpyridin-1-ium-2-yl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(4-methylpyridin-1-ium-2-yl)acetamide Formula: C15H17N6O3+ MolecularWeight: 329.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=[NH+]C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C15H16N6O3/c1-9-4-5-16-10(6-9)18-11(22)7-21-8-17-13-12(21)14(23)20(3)15(24)19(13)2/h4-6,8H,7H2,1-3H3,(H,16,18,22)/p+1