N-[1-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]pyridin-1-ium-3-yl]-3,4,5-trimethoxy-benzamide bromide

Systemtic Name: N-[1-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]pyridin-1-ium-3-yl]-3,4,5-trimethoxy-benzamide bromide Openeye Name: N-[1-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl]pyridin-1-ium-3-yl]-3,4,5-trimethoxy-benzamide bromide CAS Name: N-[1-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl]-3-pyridin-1-iumyl]-3,4,5-trimethoxybenzamide bromide IUPAC Name: N-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]pyridin-1-ium-3-yl]-3,4,5-trimethoxybenzamide bromide Traditional Name: N-[1-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl]pyridin-1-ium-3-yl]-3,4,5-trimethoxy-benzamide bromide Formula: C24H27BrN6O6 MolecularWeight: 575.41178

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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)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC.[Br-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC[N+]3=CC=CC(=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC.[Br-]

InChI

InChI=1S/C24H26N6O6.BrH/c1-27-21-19(23(32)28(2)24(27)33)30(14-25-21)10-9-29-8-6-7-16(13-29)26-22(31)15-11-17(34-3)20(36-5)18(12-15)35-4;/h6-8,11-14H,9-10H2,1-5H3;1H