methyl 4-(2-chloranyl-3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(2-chloranyl-3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(2-chloro-4-hydroxy-3-iodo-5-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-chloro-4-hydroxy-3-iodo-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-chloro-4-hydroxy-3-iodo-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-chloro-4-hydroxy-3-iodo-5-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C14H14ClIN2O4S MolecularWeight: 468.69443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2Cl)I)O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2Cl)I)O)OC)C(=O)OC

InChI

InChI=1S/C14H14ClIN2O4S/c1-5-8(13(20)22-3)11(18-14(23)17-5)6-4-7(21-2)12(19)10(16)9(6)15/h4,11,19H,1-3H3,(H2,17,18,23)