7-[[2,4-bis(fluoranyl)phenyl]methyl]-1-cyclohexyl-3-phenyl-purine-2,6-dione

Systemtic Name: 7-[[2,4-bis(fluoranyl)phenyl]methyl]-1-cyclohexyl-3-phenyl-purine-2,6-dione Openeye Name: 1-cyclohexyl-7-[(2,4-difluorophenyl)methyl]-3-phenyl-purine-2,6-dione CAS Name: 1-cyclohexyl-7-[(2,4-difluorophenyl)methyl]-3-phenylpurine-2,6-dione IUPAC Name: 1-cyclohexyl-7-[(2,4-difluorophenyl)methyl]-3-phenylpurine-2,6-dione Traditional Name: 1-cyclohexyl-7-(2,4-difluorobenzyl)-3-phenyl-xanthine Formula: C24H22F2N4O2 MolecularWeight: 436.453886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(N=CN3CC4=C(C=C(C=C4)F)F)N(C2=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(N=CN3CC4=C(C=C(C=C4)F)F)N(C2=O)C5=CC=CC=C5

InChI

InChI=1S/C24H22F2N4O2/c25-17-12-11-16(20(26)13-17)14-28-15-27-22-21(28)23(31)30(19-9-5-2-6-10-19)24(32)29(22)18-7-3-1-4-8-18/h1,3-4,7-8,11-13,15,19H,2,5-6,9-10,14H2