8-[2-(4-fluorophenyl)ethylamino]-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[2-(4-fluorophenyl)ethylamino]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[2-(4-fluorophenyl)ethylamino]-3-methyl-purine-2,6-dione CAS Name: 8-[2-(4-fluorophenyl)ethylamino]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[2-(4-fluorophenyl)ethylamino]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-[2-(4-fluorophenyl)ethylamino]-3-methyl-xanthine Formula: C21H20FN5O2 MolecularWeight: 393.414203

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C21H20FN5O2/c1-26-18-17(19(28)25-21(26)29)27(13-15-5-3-2-4-6-15)20(24-18)23-12-11-14-7-9-16(22)10-8-14/h2-10H,11-13H2,1H3,(H,23,24)(H,25,28,29)