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

Systemtic Name: N-tert-butyl-4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[5-[(2-chloro-6-fluoro-phenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-methyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[5-(2-chloro-6-fluoro-benzyl)-6-ethyl-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C23H31ClFN5O MolecularWeight: 447.976543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClFN5O/c1-6-20-17(14-16-18(24)8-7-9-19(16)25)21(27-15(2)26-20)29-10-12-30(13-11-29)22(31)28-23(3,4)5/h7-9H,6,10-14H2,1-5H3,(H,28,31)