methyl 2-azanyl-4-(3-bromophenyl)pyrimidine-5-carboxylate

Systemtic Name: methyl 2-azanyl-4-(3-bromophenyl)pyrimidine-5-carboxylate Openeye Name: methyl 2-amino-4-(3-bromophenyl)pyrimidine-5-carboxylate CAS Name: 2-amino-4-(3-bromophenyl)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-(3-bromophenyl)pyrimidine-5-carboxylate Traditional Name: 2-amino-4-(3-bromophenyl)pyrimidine-5-carboxylic acid methyl ester Formula: C12H10BrN3O2 MolecularWeight: 308.1307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(N=C1C2=CC(=CC=C2)Br)N

Isomeric SMILES

COC(=O)C1=CN=C(N=C1C2=CC(=CC=C2)Br)N

InChI

InChI=1S/C12H10BrN3O2/c1-18-11(17)9-6-15-12(14)16-10(9)7-3-2-4-8(13)5-7/h2-6H,1H3,(H2,14,15,16)