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

Systemtic Name: 1-[4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-[5-[(2-chloro-6-fluoro-phenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-2-methoxy-ethanone CAS Name: 1-[4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-methyl-4-pyrimidinyl]-1-piperazinyl]-2-methoxyethanone IUPAC Name: 1-[4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone Traditional Name: 1-[4-[5-(2-chloro-6-fluoro-benzyl)-6-ethyl-2-methyl-pyrimidin-4-yl]piperazino]-2-methoxy-ethanone Formula: C21H26ClFN4O2 MolecularWeight: 420.908143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClFN4O2/c1-4-19-16(12-15-17(22)6-5-7-18(15)23)21(25-14(2)24-19)27-10-8-26(9-11-27)20(28)13-29-3/h5-7H,4,8-13H2,1-3H3