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

Systemtic Name: N-[5-(1-ethylpyridin-1-ium-3-yl)carbonyl-6,7-dimethyl-4-oxidanylidene-1,6,7,8-tetrahydropteridin-2-yl]-2-methyl-propanamide Openeye Name: N-[5-(1-ethylpyridin-1-ium-3-carbonyl)-6,7-dimethyl-4-oxo-1,6,7,8-tetrahydropteridin-2-yl]-2-methyl-propanamide CAS Name: N-[5-[(1-ethyl-3-pyridin-1-iumyl)-oxomethyl]-6,7-dimethyl-4-oxo-1,6,7,8-tetrahydropteridin-2-yl]-2-methylpropanamide IUPAC Name: N-[5-(1-ethylpyridin-1-ium-3-carbonyl)-6,7-dimethyl-4-oxo-1,6,7,8-tetrahydropteridin-2-yl]-2-methylpropanamide Traditional Name: N-[5-(1-ethylpyridin-1-ium-3-carbonyl)-4-keto-6,7-dimethyl-1,6,7,8-tetrahydropteridin-2-yl]-2-methyl-propionamide Formula: C20H27N6O3+ MolecularWeight: 399.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC(=C1)C(=O)N2C(C(NC3=C2C(=O)N=C(N3)NC(=O)C(C)C)C)C

Isomeric SMILES

CC[N+]1=CC=CC(=C1)C(=O)N2C(C(NC3=C2C(=O)N=C(N3)NC(=O)C(C)C)C)C

InChI

InChI=1S/C20H26N6O3/c1-6-25-9-7-8-14(10-25)19(29)26-13(5)12(4)21-16-15(26)18(28)24-20(22-16)23-17(27)11(2)3/h7-13H,6H2,1-5H3,(H2-,21,22,23,24,27,28)/p+1