N-[6,7-dimethyl-5-(1-methylpyridin-1-ium-3-yl)carbonyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-2-yl]-1-methyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[6,7-dimethyl-5-(1-methylpyridin-1-ium-3-yl)carbonyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-2-yl]-1-methyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[6,7-dimethyl-5-(1-methylpyridin-1-ium-3-carbonyl)-4-oxo-1,6,7,8-tetrahydropteridin-2-yl]-1-methyl-pyridin-1-ium-3-carboxamide CAS Name: N-[6,7-dimethyl-5-[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]-4-oxo-1,6,7,8-tetrahydropteridin-2-yl]-1-methyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[6,7-dimethyl-5-(1-methylpyridin-1-ium-3-carbonyl)-4-oxo-1,6,7,8-tetrahydropteridin-2-yl]-1-methylpyridin-1-ium-3-carboxamide Traditional Name: N-[4-keto-6,7-dimethyl-5-(1-methylpyridin-1-ium-3-carbonyl)-1,6,7,8-tetrahydropteridin-2-yl]-1-methyl-pyridin-1-ium-3-carboxamide Formula: C22H25N7O3+2 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C2=C(N1)NC(=NC2=O)NC(=O)C3=C[N+](=CC=C3)C)C(=O)C4=C[N+](=CC=C4)C)C

Isomeric SMILES

CC1C(N(C2=C(N1)NC(=NC2=O)NC(=O)C3=C[N+](=CC=C3)C)C(=O)C4=C[N+](=CC=C4)C)C

InChI

InChI=1S/C22H23N7O3/c1-13-14(2)29(21(32)16-8-6-10-28(4)12-16)17-18(23-13)24-22(26-20(17)31)25-19(30)15-7-5-9-27(3)11-15/h5-14H,1-4H3,(H-2,23,24,25,26,30,31)/p+2