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

Systemtic Name: [4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-cyclopropyl-methanone Openeye Name: [4-[5-[(2-chloro-6-fluoro-phenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-cyclopropyl-methanone CAS Name: [4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-methyl-4-pyrimidinyl]-1-piperazinyl]-cyclopropylmethanone IUPAC Name: [4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone Traditional Name: [4-[5-(2-chloro-6-fluoro-benzyl)-6-ethyl-2-methyl-pyrimidin-4-yl]piperazino]-cyclopropyl-methanone Formula: C22H26ClFN4O MolecularWeight: 416.919443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3CC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3CC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H26ClFN4O/c1-3-20-17(13-16-18(23)5-4-6-19(16)24)21(26-14(2)25-20)27-9-11-28(12-10-27)22(29)15-7-8-15/h4-6,15H,3,7-13H2,1-2H3