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

Systemtic Name: ethyl 4-[4-(4-chloranylbutanoyl)-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(4-chlorobutanoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-chloro-1-oxobutyl)-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-chlorobutanoyl)-3-methylpiperazine-1-carbonyl]-2-methyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-chlorobutanoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H31ClN4O4 MolecularWeight: 438.94824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN4O4/c1-5-8-16-18(21(29)30-6-2)19(24-15(4)23-16)20(28)25-11-12-26(14(3)13-25)17(27)9-7-10-22/h14H,5-13H2,1-4H3