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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2(C(=O)NC(=S)NC2=O)CO

Isomeric SMILES

COC1=CC=C(C=C1)CC2(C(=O)NC(=S)NC2=O)CO

InChI

InChI=1S/C13H14N2O4S/c1-19-9-4-2-8(3-5-9)6-13(7-16)10(17)14-12(20)15-11(13)18/h2-5,16H,6-7H2,1H3,(H2,14,15,17,18,20)