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

Systemtic Name: ethyl 4-[4-(4-bromophenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(4-bromophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-bromophenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-bromophenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-(4-brosyl-3-methyl-piperazine-1-carbonyl)-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H31BrN4O5S MolecularWeight: 615.53854

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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)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C28H31BrN4O5S/c1-4-9-23-24(28(35)38-5-2)25(31-26(30-23)20-10-7-6-8-11-20)27(34)32-16-17-33(19(3)18-32)39(36,37)22-14-12-21(29)13-15-22/h6-8,10-15,19H,4-5,9,16-18H2,1-3H3