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

Systemtic Name: ethyl 4-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[(3-chloro-4-fluoro-phenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(3-chloro-4-fluoroanilino)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-3-methylpiperazine-1-carbonyl]-2-methyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-[(3-chloro-4-fluoro-phenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H29ClFN5O4 MolecularWeight: 505.969563

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)NC3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)NC3=CC(=C(C=C3)F)Cl)C

InChI

InChI=1S/C24H29ClFN5O4/c1-5-7-19-20(23(33)35-6-2)21(28-15(4)27-19)22(32)30-10-11-31(14(3)13-30)24(34)29-16-8-9-18(26)17(25)12-16/h8-9,12,14H,5-7,10-11,13H2,1-4H3,(H,29,34)