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

Systemtic Name: 7-[(4-fluorophenyl)methyl]-8-(hexylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-8-(hexylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-8-(hexylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-8-(hexylamino)-3-methylpurine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-8-(hexylamino)-3-methyl-xanthine Formula: C19H24FN5O2 MolecularWeight: 373.424563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCNC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)NC(=O)N2C

InChI

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