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

Systemtic Name: ethyl 4-[4-(4-acetamidophenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(4-acetamidophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-acetamidophenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-acetamidophenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-acetamidophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C30H35N5O6S MolecularWeight: 593.6938

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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)NC(=O)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)NC(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C30H35N5O6S/c1-5-10-25-26(30(38)41-6-2)27(33-28(32-25)22-11-8-7-9-12-22)29(37)34-17-18-35(20(3)19-34)42(39,40)24-15-13-23(14-16-24)31-21(4)36/h7-9,11-16,20H,5-6,10,17-19H2,1-4H3,(H,31,36)