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

Systemtic Name: 2-methoxyethyl 4-[4-(4-bromophenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C22H27BrN4O6S MolecularWeight: 555.44198

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN4O6S/c1-14-13-26(9-10-27(14)34(30,31)18-7-5-17(23)6-8-18)21(28)20-19(15(2)24-16(3)25-20)22(29)33-12-11-32-4/h5-8,14H,9-13H2,1-4H3