methyl 4-[2-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[2-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[2-bromo-4-(2,4-dichlorobenzyl)oxy-5-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H19BrCl2N2O4S MolecularWeight: 546.26156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2Br)OCC3=C(C=C(C=C3)Cl)Cl)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2Br)OCC3=C(C=C(C=C3)Cl)Cl)OC)C(=O)OC

InChI

InChI=1S/C21H19BrCl2N2O4S/c1-10-18(20(27)29-3)19(26-21(31)25-10)13-7-16(28-2)17(8-14(13)22)30-9-11-4-5-12(23)6-15(11)24/h4-8,19H,9H2,1-3H3,(H2,25,26,31)