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

Systemtic Name: ethyl 4-[4-(2-chloranylpropanoyl)-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(2-chloropropanoyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(2-chloro-1-oxopropyl)-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-chloropropanoyl)-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-chloropropanoyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H31ClN4O4 MolecularWeight: 486.99104

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)C(C)Cl)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN4O4/c1-5-10-19-20(25(33)34-6-2)21(28-22(27-19)18-11-8-7-9-12-18)24(32)29-13-14-30(16(3)15-29)23(31)17(4)26/h7-9,11-12,16-17H,5-6,10,13-15H2,1-4H3