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

Systemtic Name: 7-[(4-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-8-(2-hydroxyethylamino)-3-methyl-xanthine Formula: C15H16FN5O3 MolecularWeight: 333.317643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCO)CC3=CC=C(C=C3)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCO)CC3=CC=C(C=C3)F

InChI

InChI=1S/C15H16FN5O3/c1-20-12-11(13(23)19-15(20)24)21(14(18-12)17-6-7-22)8-9-2-4-10(16)5-3-9/h2-5,22H,6-8H2,1H3,(H,17,18)(H,19,23,24)