methyl 6-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-benzyl-6-(3,5-dibromo-4-hydroxy-phenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3,5-dibromo-4-hydroxyphenyl)-4-methyl-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-6-(3,5-dibromo-4-hydroxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-benzyl-6-(3,5-dibromo-4-hydroxy-phenyl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H18Br2N2O4 MolecularWeight: 510.17592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC(=C(C(=C3)Br)O)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC(=C(C(=C3)Br)O)Br)C(=O)OC

InChI

InChI=1S/C20H18Br2N2O4/c1-11-16(19(26)28-2)17(13-8-14(21)18(25)15(22)9-13)23-20(27)24(11)10-12-6-4-3-5-7-12/h3-9,17,25H,10H2,1-2H3,(H,23,27)