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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-homoveratryl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)CC(=O)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)CC(=O)NC2=S)OC

InChI

InChI=1S/C14H16N2O4S/c1-19-10-4-3-9(7-11(10)20-2)5-6-16-13(18)8-12(17)15-14(16)21/h3-4,7H,5-6,8H2,1-2H3,(H,15,17,21)