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

Systemtic Name: 8-[2,4-bis(fluoranyl)phenyl]-3-butyl-7-(2-methoxyethyl)purine-2,6-dione Openeye Name: 3-butyl-8-(2,4-difluorophenyl)-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 3-butyl-8-(2,4-difluorophenyl)-7-(2-methoxyethyl)purine-2,6-dione IUPAC Name: 3-butyl-8-(2,4-difluorophenyl)-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-butyl-8-(2,4-difluorophenyl)-7-(2-methoxyethyl)xanthine Formula: C18H20F2N4O3 MolecularWeight: 378.373206

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C18H20F2N4O3/c1-3-4-7-24-16-14(17(25)22-18(24)26)23(8-9-27-2)15(21-16)12-6-5-11(19)10-13(12)20/h5-6,10H,3-4,7-9H2,1-2H3,(H,22,25,26)