4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide

Systemtic Name: 4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide Openeye Name: 4-[5-[(2-chloro-6-fluoro-phenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide CAS Name: 4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-methyl-4-pyrimidinyl]-N-ethyl-1-piperazinecarboxamide IUPAC Name: 4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide Traditional Name: 4-[5-(2-chloro-6-fluoro-benzyl)-6-ethyl-2-methyl-pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide Formula: C21H27ClFN5O MolecularWeight: 419.923383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NCC)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NCC)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H27ClFN5O/c1-4-19-16(13-15-17(22)7-6-8-18(15)23)20(26-14(3)25-19)27-9-11-28(12-10-27)21(29)24-5-2/h6-8H,4-5,9-13H2,1-3H3,(H,24,29)