N-[[2,4-bis(fluoranyl)phenyl]methyl]-4-[1-(4-chlorophenyl)cyclobutyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide

Systemtic Name: N-[[2,4-bis(fluoranyl)phenyl]methyl]-4-[1-(4-chlorophenyl)cyclobutyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide Openeye Name: 4-[1-(4-chlorophenyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide CAS Name: 4-[1-(4-chlorophenyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-2-[(4-methylcyclohexyl)amino]-5-pyrimidinecarboxamide IUPAC Name: 4-[1-(4-chlorophenyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide Traditional Name: 4-[1-(4-chlorophenyl)cyclobutyl]-N-(2,4-difluorobenzyl)-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide Formula: C29H31ClF2N4O MolecularWeight: 525.032446

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC2=NC=C(C(=N2)C3(CCC3)C4=CC=C(C=C4)Cl)C(=O)NCC5=C(C=C(C=C5)F)F

Isomeric SMILES

CC1CCC(CC1)NC2=NC=C(C(=N2)C3(CCC3)C4=CC=C(C=C4)Cl)C(=O)NCC5=C(C=C(C=C5)F)F

InChI

InChI=1S/C29H31ClF2N4O/c1-18-3-11-23(12-4-18)35-28-34-17-24(27(37)33-16-19-5-10-22(31)15-25(19)32)26(36-28)29(13-2-14-29)20-6-8-21(30)9-7-20/h5-10,15,17-18,23H,2-4,11-14,16H2,1H3,(H,33,37)(H,34,35,36)