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

Systemtic Name: 2-[[3-[4-(5-chloranyl-2-phenoxy-phenyl)piperazin-1-yl]-2-oxidanyl-propyl]amino]pyrimidine-4-carboxamide Openeye Name: 2-[[3-[4-(5-chloro-2-phenoxy-phenyl)piperazin-1-yl]-2-hydroxy-propyl]amino]pyrimidine-4-carboxamide CAS Name: 2-[[3-[4-(5-chloro-2-phenoxyphenyl)-1-piperazinyl]-2-hydroxypropyl]amino]-4-pyrimidinecarboxamide IUPAC Name: 2-[[3-[4-(5-chloro-2-phenoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxamide Traditional Name: 2-[[3-[4-(5-chloro-2-phenoxy-phenyl)piperazino]-2-hydroxy-propyl]amino]pyrimidine-4-carboxamide Formula: C24H27ClN6O3 MolecularWeight: 482.96258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CNC2=NC=CC(=N2)C(=O)N)O)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC(CNC2=NC=CC(=N2)C(=O)N)O)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

InChI

InChI=1S/C24H27ClN6O3/c25-17-6-7-22(34-19-4-2-1-3-5-19)21(14-17)31-12-10-30(11-13-31)16-18(32)15-28-24-27-9-8-20(29-24)23(26)33/h1-9,14,18,32H,10-13,15-16H2,(H2,26,33)(H,27,28,29)