1-(1,3-benzodioxol-5-ylmethyl)-8-[(2-fluorophenyl)methylamino]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-8-[(2-fluorophenyl)methylamino]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-8-[(2-fluorophenyl)methylamino]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-8-[(2-fluorophenyl)methylamino]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-8-[(2-fluorophenyl)methylamino]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[(2-fluorobenzyl)amino]-3,7-dimethyl-1-piperonyl-xanthine Formula: C22H20FN5O4 MolecularWeight: 437.423703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3=CC=CC=C3F)N(C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CN1C2=C(N=C1NCC3=CC=CC=C3F)N(C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C22H20FN5O4/c1-26-18-19(25-21(26)24-10-14-5-3-4-6-15(14)23)27(2)22(30)28(20(18)29)11-13-7-8-16-17(9-13)32-12-31-16/h3-9H,10-12H2,1-2H3,(H,24,25)