prop-2-enyl 4-[4-(4-bromophenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl 4-[4-(4-bromophenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: allyl 4-[4-(4-bromophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-bromophenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[4-(4-bromophenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-(4-brosyl-3-methyl-piperazine-1-carbonyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid allyl ester Formula: C22H25BrN4O5S MolecularWeight: 537.4267

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC=C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC=C

InChI

InChI=1S/C22H25BrN4O5S/c1-5-12-32-22(29)19-15(3)24-16(4)25-20(19)21(28)26-10-11-27(14(2)13-26)33(30,31)18-8-6-17(23)7-9-18/h5-9,14H,1,10-13H2,2-4H3