5-[2-ethanoyl-3-(3-methoxy-4-oxidanyl-phenyl)-3,4-dihydropyrazol-5-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[2-ethanoyl-3-(3-methoxy-4-oxidanyl-phenyl)-3,4-dihydropyrazol-5-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[2-acetyl-3-(4-hydroxy-3-methoxy-phenyl)-3,4-dihydropyrazol-5-yl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[2-acetyl-3-(4-hydroxy-3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[2-acetyl-3-(4-hydroxy-3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[1-acetyl-5-(4-hydroxy-3-methoxy-phenyl)-2-pyrazolin-3-yl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H16N4O5S MolecularWeight: 376.38704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2C(=O)NC(=S)NC2=O)C3=CC(=C(C=C3)O)OC

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2C(=O)NC(=S)NC2=O)C3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C16H16N4O5S/c1-7(21)20-10(8-3-4-11(22)12(5-8)25-2)6-9(19-20)13-14(23)17-16(26)18-15(13)24/h3-5,10,13,22H,6H2,1-2H3,(H2,17,18,23,24,26)