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

Systemtic Name: 4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-(methoxymethyl)-2-methyl-pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide Openeye Name: 4-[5-[(2-chloro-6-fluoro-phenyl)methyl]-6-(methoxymethyl)-2-methyl-pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide CAS Name: 4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-2-methyl-4-pyrimidinyl]-N-ethyl-1-piperazinecarboxamide IUPAC Name: 4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide Traditional Name: 4-[5-(2-chloro-6-fluoro-benzyl)-6-(methoxymethyl)-2-methyl-pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide Formula: C21H27ClFN5O2 MolecularWeight: 435.922783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClFN5O2/c1-4-24-21(29)28-10-8-27(9-11-28)20-16(19(13-30-3)25-14(2)26-20)12-15-17(22)6-5-7-18(15)23/h5-7H,4,8-13H2,1-3H3,(H,24,29)