ethyl 2-methylsulfanyl-4-[[2,4,6-tris(bromanyl)phenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[2,4,6-tris(bromanyl)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-(2,4,6-tribromoanilino)pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-(2,4,6-tribromoanilino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-(2,4,6-tribromoanilino)pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(2,4,6-tribromoanilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C14H12Br3N3O2S MolecularWeight: 526.04098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=C(C=C(C=C2Br)Br)Br)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=C(C=C(C=C2Br)Br)Br)SC

InChI

InChI=1S/C14H12Br3N3O2S/c1-3-22-13(21)8-6-18-14(23-2)20-12(8)19-11-9(16)4-7(15)5-10(11)17/h4-6H,3H2,1-2H3,(H,18,19,20)