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

Systemtic Name: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(phenethylamino)purine-2,6-dione Openeye Name: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(phenethylamino)purine-2,6-dione CAS Name: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(phenethylamino)purine-2,6-dione IUPAC Name: 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(phenethylamino)purine-2,6-dione Traditional Name: 1-(2-fluorobenzyl)-3,7-dimethyl-8-(phenethylamino)xanthine Formula: C22H22FN5O2 MolecularWeight: 407.440783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4F)C

Isomeric SMILES

CN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4F)C

InChI

InChI=1S/C22H22FN5O2/c1-26-18-19(25-21(26)24-13-12-15-8-4-3-5-9-15)27(2)22(30)28(20(18)29)14-16-10-6-7-11-17(16)23/h3-11H,12-14H2,1-2H3,(H,24,25)