methyl 2-[1-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]ethylamino]pyrimidine-4-carboxylate

Systemtic Name: methyl 2-[1-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]ethylamino]pyrimidine-4-carboxylate Openeye Name: methyl 2-[1-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]ethylamino]pyrimidine-4-carboxylate CAS Name: 2-[1-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]ethylamino]-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]pyrimidine-4-carboxylate Traditional Name: 2-[1-[4-(5-chloro-2-methoxy-phenyl)piperazino]ethylamino]pyrimidine-4-carboxylic acid methyl ester Formula: C19H24ClN5O3 MolecularWeight: 405.87856

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=NC=CC(=N1)C(=O)OC)N2CCN(CC2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC(NC1=NC=CC(=N1)C(=O)OC)N2CCN(CC2)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C19H24ClN5O3/c1-13(22-19-21-7-6-15(23-19)18(26)28-3)24-8-10-25(11-9-24)16-12-14(20)4-5-17(16)27-2/h4-7,12-13H,8-11H2,1-3H3,(H,21,22,23)