2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]-N-[(5-methylfuran-2-yl)methylideneamino]ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]-N-[(5-methylfuran-2-yl)methylideneamino]ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-[(5-methyl-2-furyl)methyleneamino]acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-[(5-methyl-2-furanyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-9H-purin-7-ium-7-yl)-N-[(5-methyl-2-furyl)methyleneamino]acetamide Formula: C15H17N6O4+ MolecularWeight: 345.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=NNC(=O)C[N+]2=CNC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(O1)C=NNC(=O)C[N+]2=CNC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C15H16N6O4/c1-9-4-5-10(25-9)6-17-18-11(22)7-21-8-16-13-12(21)14(23)20(3)15(24)19(13)2/h4-6,8H,7H2,1-3H3,(H,18,22)/p+1