5-[(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-pyridin-4-yl-methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-pyridin-4-yl-methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(6-hydroxy-4-oxo-2-thioxo-1H-pyrimidin-5-yl)-(4-pyridyl)methyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-pyridin-4-ylmethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-pyridin-4-ylmethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(6-hydroxy-4-keto-2-thioxo-1H-pyrimidin-5-yl)-(4-pyridyl)methyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H11N5O4S2 MolecularWeight: 377.39824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(C2C(=O)NC(=S)NC2=O)C3=C(NC(=S)NC3=O)O

Isomeric SMILES

C1=CN=CC=C1C(C2C(=O)NC(=S)NC2=O)C3=C(NC(=S)NC3=O)O

InChI

InChI=1S/C14H11N5O4S2/c20-9-7(10(21)17-13(24)16-9)6(5-1-3-15-4-2-5)8-11(22)18-14(25)19-12(8)23/h1-4,6-7H,(H2,16,17,20,21,24)(H3,18,19,22,23,25)