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

Systemtic Name: 1-[4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[5-[(2-chloro-6-fluoro-phenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-methyl-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[5-(2-chloro-6-fluoro-benzyl)-6-ethyl-2-methyl-pyrimidin-4-yl]piperazino]propan-1-one Formula: C21H26ClFN4O MolecularWeight: 404.908743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClFN4O/c1-4-19-16(13-15-17(22)7-6-8-18(15)23)21(25-14(3)24-19)27-11-9-26(10-12-27)20(28)5-2/h6-8H,4-5,9-13H2,1-3H3