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

Systemtic Name: ethyl 4-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-tert-butylphenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-tert-butylphenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-2-methyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H38N4O5S MolecularWeight: 530.67942

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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)(C)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)(C)C)C

InChI

InChI=1S/C27H38N4O5S/c1-8-10-22-23(26(33)36-9-2)24(29-19(4)28-22)25(32)30-15-16-31(18(3)17-30)37(34,35)21-13-11-20(12-14-21)27(5,6)7/h11-14,18H,8-10,15-17H2,1-7H3