N-[1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxidanylidene-pyrimidin-4-yl]-1-methyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxidanylidene-pyrimidin-4-yl]-1-methyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxo-pyrimidin-4-yl]-1-methyl-pyridin-1-ium-3-carboxamide CAS Name: N-[1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxo-4-pyrimidinyl]-1-methyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]-1-methylpyridin-1-ium-3-carboxamide Traditional Name: N-[2-keto-1-[(2R,5S)-2-methylol-1,3-oxathiolan-5-yl]pyrimidin-4-yl]-1-methyl-pyridin-1-ium-3-carboxamide Formula: C15H17N4O4S+ MolecularWeight: 349.38488

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NC2=NC(=O)N(C=C2)C3CSC(O3)CO

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NC2=NC(=O)N(C=C2)[C@@H]3CS[C@@H](O3)CO

InChI

InChI=1S/C15H16N4O4S/c1-18-5-2-3-10(7-18)14(21)16-11-4-6-19(15(22)17-11)12-9-24-13(8-20)23-12/h2-7,12-13,20H,8-9H2,1H3/p+1/t12-,13+/m0/s1