7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(4-oxidanylbutylamino)purine-2,6-dione

Systemtic Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(4-oxidanylbutylamino)purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-8-(4-hydroxybutylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-8-(4-hydroxybutylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-8-(4-hydroxybutylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-8-(4-hydroxybutylamino)-1,3-dimethyl-xanthine Formula: C18H22FN5O3 MolecularWeight: 375.397383

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCCO)CC3=CC=C(C=C3)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCCO)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN5O3/c1-22-15-14(16(26)23(2)18(22)27)24(11-12-5-7-13(19)8-6-12)17(21-15)20-9-3-4-10-25/h5-8,25H,3-4,9-11H2,1-2H3,(H,20,21)