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

Systemtic Name: 4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-(methoxymethyl)-2-methyl-pyrimidin-4-yl]-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[5-[(2-chloro-6-fluoro-phenyl)methyl]-6-(methoxymethyl)-2-methyl-pyrimidin-4-yl]-N-isopropyl-piperazine-1-carboxamide CAS Name: 4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-2-methyl-4-pyrimidinyl]-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[5-(2-chloro-6-fluoro-benzyl)-6-(methoxymethyl)-2-methyl-pyrimidin-4-yl]-N-isopropyl-piperazine-1-carboxamide Formula: C22H29ClFN5O2 MolecularWeight: 449.949363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClFN5O2/c1-14(2)25-22(30)29-10-8-28(9-11-29)21-17(20(13-31-4)26-15(3)27-21)12-16-18(23)6-5-7-19(16)24/h5-7,14H,8-13H2,1-4H3,(H,25,30)