4-(2-chloranyl-3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-5-ethanoyl-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one; ethanoic acid

Systemtic Name: 4-(2-chloranyl-3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-5-ethanoyl-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one; ethanoic acid Openeye Name: acetic acid; 5-acetyl-4-(2-chloro-4-hydroxy-3-iodo-5-methoxy-phenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one CAS Name: acetic acid; 5-acetyl-4-(2-chloro-4-hydroxy-3-iodo-5-methoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one IUPAC Name: acetic acid; 5-acetyl-4-(2-chloro-4-hydroxy-3-iodo-5-methoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one Traditional Name: acetic acid; 5-acetyl-4-(2-chloro-4-hydroxy-3-iodo-5-methoxy-phenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one Formula: C21H20ClIN2O6 MolecularWeight: 558.75077

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2Cl)I)O)OC)C3=CC=CC=C3.CC(=O)O

Isomeric SMILES

CC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2Cl)I)O)OC)C3=CC=CC=C3.CC(=O)O

InChI

InChI=1S/C19H16ClIN2O4.C2H4O2/c1-9(24)13-16(10-6-4-3-5-7-10)22-19(26)23-17(13)11-8-12(27-2)18(25)15(21)14(11)20;1-2(3)4/h3-8,17,25H,1-2H3,(H2,22,23,26);1H3,(H,3,4)