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

Systemtic Name: 7-[[2,6-bis(fluoranyl)phenyl]methyl]-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-[(2,6-difluorophenyl)methyl]-1,3-dipropyl-purine-2,6-dione CAS Name: 7-[(2,6-difluorophenyl)methyl]-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-[(2,6-difluorophenyl)methyl]-1,3-dipropylpurine-2,6-dione Traditional Name: 7-(2,6-difluorobenzyl)-1,3-dipropyl-xanthine Formula: C18H20F2N4O2 MolecularWeight: 362.373806

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C=N2)CC3=C(C=CC=C3F)F

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C=N2)CC3=C(C=CC=C3F)F

InChI

InChI=1S/C18H20F2N4O2/c1-3-8-23-16-15(17(25)24(9-4-2)18(23)26)22(11-21-16)10-12-13(19)6-5-7-14(12)20/h5-7,11H,3-4,8-10H2,1-2H3