ethyl 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 2-[2-[4-(2-chlorophenyl)-1-piperazinyl]ethylamino]-4,6-dimethyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethylamino]-4,6-dimethylpyrimidine-5-carboxylate Traditional Name: 2-[2-[4-(2-chlorophenyl)piperazino]ethylamino]-4,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H28ClN5O2 MolecularWeight: 417.93232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)NCCN2CCN(CC2)C3=CC=CC=C3Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)NCCN2CCN(CC2)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H28ClN5O2/c1-4-29-20(28)19-15(2)24-21(25-16(19)3)23-9-10-26-11-13-27(14-12-26)18-8-6-5-7-17(18)22/h5-8H,4,9-14H2,1-3H3,(H,23,24,25)