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

Systemtic Name: [4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[5-[(2-chloro-6-fluoro-phenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[5-(2-chloro-6-fluoro-benzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]piperazino]-(2-thienyl)methanone Formula: C27H24ClFN4OS MolecularWeight: 507.022063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CS4)CC5=C(C=CC=C5Cl)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CS4)CC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C27H24ClFN4OS/c1-18-20(17-21-22(28)9-5-10-23(21)29)26(31-25(30-18)19-7-3-2-4-8-19)32-12-14-33(15-13-32)27(34)24-11-6-16-35-24/h2-11,16H,12-15,17H2,1H3