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

Systemtic Name: 8-(cyclopentylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(cyclopentylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(cyclopentylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(cyclopentylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(cyclopentylamino)-7-(4-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C19H22FN5O2 MolecularWeight: 371.408683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C19H22FN5O2/c1-23-16-15(17(26)24(2)19(23)27)25(11-12-7-9-13(20)10-8-12)18(22-16)21-14-5-3-4-6-14/h7-10,14H,3-6,11H2,1-2H3,(H,21,22)