3-butyl-7-ethyl-8-[[(5-fluoranyl-2-methyl-phenyl)amino]methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-[[(5-fluoranyl-2-methyl-phenyl)amino]methyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[(5-fluoro-2-methyl-anilino)methyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[(5-fluoro-2-methylanilino)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[(5-fluoro-2-methylanilino)methyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[(5-fluoro-2-methyl-anilino)methyl]xanthine Formula: C19H24FN5O2 MolecularWeight: 373.424563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=C(C=CC(=C3)F)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=C(C=CC(=C3)F)C)CC

InChI

InChI=1S/C19H24FN5O2/c1-4-6-9-25-17-16(18(26)23-19(25)27)24(5-2)15(22-17)11-21-14-10-13(20)8-7-12(14)3/h7-8,10,21H,4-6,9,11H2,1-3H3,(H,23,26,27)