5-[(E)-3-oxidanylidenebut-1-enyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(E)-3-oxidanylidenebut-1-enyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(E)-3-oxobut-1-enyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(E)-3-oxobut-1-enyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(E)-3-oxobut-1-enyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(E)-3-ketobut-1-enyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C8H8N2O3S MolecularWeight: 212.22572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1C(=O)NC(=S)NC1=O

Isomeric SMILES

CC(=O)/C=C/C1C(=O)NC(=S)NC1=O

InChI

InChI=1S/C8H8N2O3S/c1-4(11)2-3-5-6(12)9-8(14)10-7(5)13/h2-3,5H,1H3,(H2,9,10,12,13,14)/b3-2+