2-[[3-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-2-oxidanyl-propyl]amino]pyrimidine-4-carboxylate

Systemtic Name: 2-[[3-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-2-oxidanyl-propyl]amino]pyrimidine-4-carboxylate Openeye Name: 2-[[3-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]-2-hydroxy-propyl]amino]pyrimidine-4-carboxylate CAS Name: 2-[[3-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]-2-hydroxypropyl]amino]-4-pyrimidinecarboxylate IUPAC Name: 2-[[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxylate Traditional Name: 2-[[3-[4-(5-chloro-2-methoxy-phenyl)piperazino]-2-hydroxy-propyl]amino]pyrimidine-4-carboxylate Formula: C19H23ClN5O4- MolecularWeight: 420.87002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(CNC3=NC=CC(=N3)C(=O)[O-])O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(CNC3=NC=CC(=N3)C(=O)[O-])O

InChI

InChI=1S/C19H24ClN5O4/c1-29-17-3-2-13(20)10-16(17)25-8-6-24(7-9-25)12-14(26)11-22-19-21-5-4-15(23-19)18(27)28/h2-5,10,14,26H,6-9,11-12H2,1H3,(H,27,28)(H,21,22,23)/p-1