1-[4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[5-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[5-[(2-chloro-6-fluoro-phenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[5-(2-chloro-6-fluoro-benzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]piperazino]-3-methyl-butan-1-one Formula: C27H30ClFN4O MolecularWeight: 481.004703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CC(C)C)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CC(C)C)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C27H30ClFN4O/c1-18(2)16-25(34)32-12-14-33(15-13-32)27-21(17-22-23(28)10-7-11-24(22)29)19(3)30-26(31-27)20-8-5-4-6-9-20/h4-11,18H,12-17H2,1-3H3