tert-butyl 4-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: tert-butyl 4-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl 4-(3,5-dichloro-4-hydroxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3,5-dichloro-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3,5-dichloro-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3,5-dichloro-4-hydroxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C16H18Cl2N2O4 MolecularWeight: 373.23112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Cl)O)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Cl)O)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H18Cl2N2O4/c1-7-11(14(22)24-16(2,3)4)12(20-15(23)19-7)8-5-9(17)13(21)10(18)6-8/h5-6,12,21H,1-4H3,(H2,19,20,23)