8-[2,4-bis(fluoranyl)phenyl]-3-butyl-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-[2,4-bis(fluoranyl)phenyl]-3-butyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 3-butyl-8-(2,4-difluorophenyl)-7-isobutyl-purine-2,6-dione CAS Name: 3-butyl-8-(2,4-difluorophenyl)-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 3-butyl-8-(2,4-difluorophenyl)-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-butyl-8-(2,4-difluorophenyl)-7-isobutyl-xanthine Formula: C19H22F2N4O2 MolecularWeight: 376.400386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=C(C=C(C=C3)F)F)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=C(C=C(C=C3)F)F)CC(C)C

InChI

InChI=1S/C19H22F2N4O2/c1-4-5-8-24-17-15(18(26)23-19(24)27)25(10-11(2)3)16(22-17)13-7-6-12(20)9-14(13)21/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,23,26,27)