3-butyl-1-[(3-fluorophenyl)methyl]-7-(2-methoxyethyl)purine-2,6-dione

Systemtic Name: 3-butyl-1-[(3-fluorophenyl)methyl]-7-(2-methoxyethyl)purine-2,6-dione Openeye Name: 3-butyl-1-[(3-fluorophenyl)methyl]-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 3-butyl-1-[(3-fluorophenyl)methyl]-7-(2-methoxyethyl)purine-2,6-dione IUPAC Name: 3-butyl-1-[(3-fluorophenyl)methyl]-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-butyl-1-(3-fluorobenzyl)-7-(2-methoxyethyl)xanthine Formula: C19H23FN4O3 MolecularWeight: 374.409323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)F)N(C=N2)CCOC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)F)N(C=N2)CCOC

InChI

InChI=1S/C19H23FN4O3/c1-3-4-8-23-17-16(22(13-21-17)9-10-27-2)18(25)24(19(23)26)12-14-6-5-7-15(20)11-14/h5-7,11,13H,3-4,8-10,12H2,1-2H3