ethyl 4-[4-(4-bromophenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-(4-bromophenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(4-bromophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-bromophenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-bromophenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-2-methyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-(4-brosyl-3-methyl-piperazine-1-carbonyl)-2-methyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H29BrN4O5S MolecularWeight: 553.46916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C23H29BrN4O5S/c1-5-7-19-20(23(30)33-6-2)21(26-16(4)25-19)22(29)27-12-13-28(15(3)14-27)34(31,32)18-10-8-17(24)9-11-18/h8-11,15H,5-7,12-14H2,1-4H3