1-[4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[5-[(2-chloro-6-fluoro-phenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-methyl-4-pyrimidinyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[5-(2-chloro-6-fluoro-benzyl)-6-ethyl-2-methyl-pyrimidin-4-yl]piperazino]-2-methyl-propan-1-one Formula: C22H28ClFN4O MolecularWeight: 418.935323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClFN4O/c1-5-20-17(13-16-18(23)7-6-8-19(16)24)21(26-15(4)25-20)27-9-11-28(12-10-27)22(29)14(2)3/h6-8,14H,5,9-13H2,1-4H3