1-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl]pyridin-1-ium-3-carboxamide Formula: C15H17N6O3+ MolecularWeight: 329.33388

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C15H16N6O3/c1-18-13-11(14(23)19(2)15(18)24)21(9-17-13)7-6-20-5-3-4-10(8-20)12(16)22/h3-5,8-9H,6-7H2,1-2H3,(H-,16,22)/p+1