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

Systemtic Name: 4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide Openeye Name: 4-[5-[(2-chloro-6-fluoro-phenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide CAS Name: 4-[5-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-N-ethyl-1-piperazinecarboxamide IUPAC Name: 4-[5-[(2-chloro-6-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide Traditional Name: 4-[5-(2-chloro-6-fluoro-benzyl)-2,6-dimethyl-pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide Formula: C20H25ClFN5O MolecularWeight: 405.896803

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC=C3Cl)F)C)C

Isomeric SMILES

CCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC=C3Cl)F)C)C

InChI

InChI=1S/C20H25ClFN5O/c1-4-23-20(28)27-10-8-26(9-11-27)19-15(13(2)24-14(3)25-19)12-16-17(21)6-5-7-18(16)22/h5-7H,4,8-12H2,1-3H3,(H,23,28)