ethyl 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-methyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-methyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-methyl-pyrimidine-5-carboxylate CAS Name: 2-[4-(4-chlorophenyl)-1-piperazinyl]-4-methyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate Traditional Name: 2-[4-(4-chlorophenyl)piperazino]-4-methyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C)N2CCN(CC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C)N2CCN(CC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN4O2/c1-3-25-17(24)16-12-20-18(21-13(16)2)23-10-8-22(9-11-23)15-6-4-14(19)5-7-15/h4-7,12H,3,8-11H2,1-2H3