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

Systemtic Name: [4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-cyclopropyl-methanone Openeye Name: [4-[5-[(2-chloro-6-fluoro-phenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-cyclopropyl-methanone CAS Name: [4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-cyclopropylmethanone IUPAC Name: [4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-cyclopropylmethanone Traditional Name: [4-[5-(2-chloro-6-fluoro-benzyl)-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazino]-cyclopropyl-methanone Formula: C27H28ClFN4O MolecularWeight: 478.988823

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4CC4)CC5=C(C=CC=C5Cl)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4CC4)CC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C27H28ClFN4O/c1-2-24-21(17-20-22(28)9-6-10-23(20)29)26(31-25(30-24)18-7-4-3-5-8-18)32-13-15-33(16-14-32)27(34)19-11-12-19/h3-10,19H,2,11-17H2,1H3