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

Systemtic Name: ethyl 4-[4-(tert-butylcarbamoyl)-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(tert-butylcarbamoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(tert-butylamino)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(tert-butylcarbamoyl)-3-methylpiperazine-1-carbonyl]-2-methyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(tert-butylcarbamoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H35N5O4 MolecularWeight: 433.5444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)NC(C)(C)C)C

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)NC(C)(C)C)C

InChI

InChI=1S/C22H35N5O4/c1-8-10-16-17(20(29)31-9-2)18(24-15(4)23-16)19(28)26-11-12-27(14(3)13-26)21(30)25-22(5,6)7/h14H,8-13H2,1-7H3,(H,25,30)