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

Systemtic Name: ethyl 4-[4-[(3-chloranyl-4-methyl-phenyl)carbamoyl]-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[(3-chloro-4-methyl-phenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(3-chloro-4-methylanilino)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-chloro-4-methylphenyl)carbamoyl]-3-methylpiperazine-1-carbonyl]-2-methyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-[(3-chloro-4-methyl-phenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H32ClN5O4 MolecularWeight: 502.00568

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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)C)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32ClN5O4/c1-6-8-20-21(24(33)35-7-2)22(28-17(5)27-20)23(32)30-11-12-31(16(4)14-30)25(34)29-18-10-9-15(3)19(26)13-18/h9-10,13,16H,6-8,11-12,14H2,1-5H3,(H,29,34)