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

Systemtic Name: 2-[[3-[4-(5-fluoranyl-2-methoxy-phenyl)piperazin-1-yl]-2-oxidanyl-propyl]amino]pyrimidine-4-carboxamide Openeye Name: 2-[[3-[4-(5-fluoro-2-methoxy-phenyl)piperazin-1-yl]-2-hydroxy-propyl]amino]pyrimidine-4-carboxamide CAS Name: 2-[[3-[4-(5-fluoro-2-methoxyphenyl)-1-piperazinyl]-2-hydroxypropyl]amino]-4-pyrimidinecarboxamide IUPAC Name: 2-[[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxamide Traditional Name: 2-[[3-[4-(5-fluoro-2-methoxy-phenyl)piperazino]-2-hydroxy-propyl]amino]pyrimidine-4-carboxamide Formula: C19H25FN6O3 MolecularWeight: 404.438603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)N2CCN(CC2)CC(CNC3=NC=CC(=N3)C(=O)N)O

Isomeric SMILES

COC1=C(C=C(C=C1)F)N2CCN(CC2)CC(CNC3=NC=CC(=N3)C(=O)N)O

InChI

InChI=1S/C19H25FN6O3/c1-29-17-3-2-13(20)10-16(17)26-8-6-25(7-9-26)12-14(27)11-23-19-22-5-4-15(24-19)18(21)28/h2-5,10,14,27H,6-9,11-12H2,1H3,(H2,21,28)(H,22,23,24)