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

Systemtic Name: ethyl 2-methyl-4-[3-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]carbonyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methyl-4-[3-methyl-4-(p-tolylsulfonyl)piperazine-1-carbonyl]-6-propyl-pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[3-methyl-4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-6-propylpyrimidine-5-carboxylate Traditional Name: 2-methyl-4-(3-methyl-4-tosyl-piperazine-1-carbonyl)-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H32N4O5S MolecularWeight: 488.59968

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O5S/c1-6-8-20-21(24(30)33-7-2)22(26-18(5)25-20)23(29)27-13-14-28(17(4)15-27)34(31,32)19-11-9-16(3)10-12-19/h9-12,17H,6-8,13-15H2,1-5H3