5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2,4-dimethoxyphenyl)methyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(2,4-dimethoxybenzyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H14N2O4S MolecularWeight: 294.32626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CC2C(=O)NC(=S)NC2=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CC2C(=O)NC(=S)NC2=O)OC

InChI

InChI=1S/C13H14N2O4S/c1-18-8-4-3-7(10(6-8)19-2)5-9-11(16)14-13(20)15-12(9)17/h3-4,6,9H,5H2,1-2H3,(H2,14,15,16,17,20)