7-[(4-fluorophenyl)methyl]-3-methyl-8-(2-oxidanylpropylamino)purine-2,6-dione

Systemtic Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(2-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-8-(2-hydroxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-8-(2-hydroxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-8-(2-hydroxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-8-(2-hydroxypropylamino)-3-methyl-xanthine Formula: C16H18FN5O3 MolecularWeight: 347.344223

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)NC(=O)N2C)O

Isomeric SMILES

CC(CNC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)NC(=O)N2C)O

InChI

InChI=1S/C16H18FN5O3/c1-9(23)7-18-15-19-13-12(14(24)20-16(25)21(13)2)22(15)8-10-3-5-11(17)6-4-10/h3-6,9,23H,7-8H2,1-2H3,(H,18,19)(H,20,24,25)