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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC(C)C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC(C)C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H27ClFN5O/c1-13(2)24-21(29)28-10-8-27(9-11-28)20-16(14(3)25-15(4)26-20)12-17-18(22)6-5-7-19(17)23/h5-7,13H,8-12H2,1-4H3,(H,24,29)