(5S)-5-azanyl-2-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]-1,3-dioxocane-4,8-dione

Systemtic Name: (5S)-5-azanyl-2-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]-1,3-dioxocane-4,8-dione Openeye Name: (5S)-5-amino-2-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]-1,3-dioxocane-4,8-dione CAS Name: (5S)-5-amino-2-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-1,3-dioxocane-4,8-dione IUPAC Name: (5S)-5-amino-2-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,3-dioxocane-4,8-dione Traditional Name: (5S)-5-amino-2-(3-hydroxy-2-methyl-5-methylol-4-pyridyl)-1,3-dioxocane-4,8-quinone Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C2OC(=O)CCC(C(=O)O2)N)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)C2OC(=O)CC[C@@H](C(=O)O2)N)CO

InChI

InChI=1S/C13H16N2O6/c1-6-11(18)10(7(5-16)4-15-6)13-20-9(17)3-2-8(14)12(19)21-13/h4,8,13,16,18H,2-3,5,14H2,1H3/t8-,13?/m0/s1