ethyl 4-azanyl-2-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(2-bromoanilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(2-bromoanilino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(2-bromoanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(2-bromoanilino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H15BrN4O3S MolecularWeight: 411.2736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=CC=C2Br

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C15H15BrN4O3S/c1-2-23-14(22)9-7-18-15(20-13(9)17)24-8-12(21)19-11-6-4-3-5-10(11)16/h3-7H,2,8H2,1H3,(H,19,21)(H2,17,18,20)