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

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

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCNC3=NC=CC(=N3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCNC3=NC=CC(=N3)C(=O)OC

InChI

InChI=1S/C19H24ClN5O3/c1-27-17-4-3-14(20)13-16(17)25-11-9-24(10-12-25)8-7-22-19-21-6-5-15(23-19)18(26)28-2/h3-6,13H,7-12H2,1-2H3,(H,21,22,23)