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

Systemtic Name: ethyl 4-[3-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-methyl-4-(p-tolylsulfonyl)piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-(3-methyl-4-tosyl-piperazine-1-carbonyl)-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H34N4O5S MolecularWeight: 550.66906

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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)C)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)C)C4=CC=CC=C4

InChI

InChI=1S/C29H34N4O5S/c1-5-10-24-25(29(35)38-6-2)26(31-27(30-24)22-11-8-7-9-12-22)28(34)32-17-18-33(21(4)19-32)39(36,37)23-15-13-20(3)14-16-23/h7-9,11-16,21H,5-6,10,17-19H2,1-4H3