tert-butyl (4S)-4-(2-iodanyl-4-methoxy-3-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: tert-butyl (4S)-4-(2-iodanyl-4-methoxy-3-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl (4S)-4-(3-hydroxy-2-iodo-4-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3-hydroxy-2-iodo-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-(3-hydroxy-2-iodo-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(3-hydroxy-2-iodo-4-methoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C17H21IN2O5 MolecularWeight: 460.26351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=C(C(=C(C=C2)OC)O)I)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C([C@H](NC(=O)N1)C2=C(C(=C(C=C2)OC)O)I)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H21IN2O5/c1-8-11(15(22)25-17(2,3)4)13(20-16(23)19-8)9-6-7-10(24-5)14(21)12(9)18/h6-7,13,21H,1-5H3,(H2,19,20,23)/t13-/m1/s1