tert-butyl 4-[4-acetamido-3,5-bis(bromanyl)phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: tert-butyl 4-[4-acetamido-3,5-bis(bromanyl)phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl 4-(4-acetamido-3,5-dibromo-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-acetamido-3,5-dibromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-acetamido-3,5-dibromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-acetamido-3,5-dibromo-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C18H21Br2N3O4 MolecularWeight: 503.18504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)NC(=O)C)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)NC(=O)C)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H21Br2N3O4/c1-8-13(16(25)27-18(3,4)5)14(23-17(26)21-8)10-6-11(19)15(12(20)7-10)22-9(2)24/h6-7,14H,1-5H3,(H,22,24)(H2,21,23,26)