5-[[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H14N4O4S MolecularWeight: 322.33966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC=C2C(=O)NC(=S)NC2=O)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)CNC=C2C(=O)NC(=S)NC2=O)CO

InChI

InChI=1S/C13H14N4O4S/c1-6-10(19)8(7(5-18)2-15-6)3-14-4-9-11(20)16-13(22)17-12(9)21/h2,4,14,18-19H,3,5H2,1H3,(H2,16,17,20,21,22)