7-butyl-1-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 7-butyl-1-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-butyl-1-[2-(4-fluorophenyl)-2-hydroxy-ethyl]-3-isobutyl-purine-2,6-dione CAS Name: 7-butyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-butyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-butyl-1-[2-(4-fluorophenyl)-2-hydroxy-ethyl]-3-isobutyl-xanthine Formula: C21H27FN4O3 MolecularWeight: 402.462483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(C3=CC=C(C=C3)F)O

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(C3=CC=C(C=C3)F)O

InChI

InChI=1S/C21H27FN4O3/c1-4-5-10-24-13-23-19-18(24)20(28)26(21(29)25(19)11-14(2)3)12-17(27)15-6-8-16(22)9-7-15/h6-9,13-14,17,27H,4-5,10-12H2,1-3H3