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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3,7-dimethyl-8-(3-phenylpropylamino)purine-2,6-dione Openeye Name: 1-[(4-fluorophenyl)methyl]-3,7-dimethyl-8-(3-phenylpropylamino)purine-2,6-dione CAS Name: 1-[(4-fluorophenyl)methyl]-3,7-dimethyl-8-(3-phenylpropylamino)purine-2,6-dione IUPAC Name: 1-[(4-fluorophenyl)methyl]-3,7-dimethyl-8-(3-phenylpropylamino)purine-2,6-dione Traditional Name: 1-(4-fluorobenzyl)-3,7-dimethyl-8-(3-phenylpropylamino)xanthine Formula: C23H24FN5O2 MolecularWeight: 421.467363

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)F)C

Isomeric SMILES

CN1C2=C(N=C1NCCCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)F)C

InChI

InChI=1S/C23H24FN5O2/c1-27-19-20(26-22(27)25-14-6-9-16-7-4-3-5-8-16)28(2)23(31)29(21(19)30)15-17-10-12-18(24)13-11-17/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,25,26)