8-[(2-fluoranyl-1H-pyridin-2-yl)methyl]-3-phenethyl-1-propyl-7H-purine-2,6-dione

Systemtic Name: 8-[(2-fluoranyl-1H-pyridin-2-yl)methyl]-3-phenethyl-1-propyl-7H-purine-2,6-dione Openeye Name: 8-[(2-fluoro-1H-pyridin-2-yl)methyl]-3-phenethyl-1-propyl-7H-purine-2,6-dione CAS Name: 8-[(2-fluoro-1H-pyridin-2-yl)methyl]-3-phenethyl-1-propyl-7H-purine-2,6-dione IUPAC Name: 8-[(2-fluoro-1H-pyridin-2-yl)methyl]-3-phenethyl-1-propyl-7H-purine-2,6-dione Traditional Name: 8-[(2-fluoro-1H-pyridin-2-yl)methyl]-3-phenethyl-1-propyl-7H-purine-2,6-quinone Formula: C22H24FN5O2 MolecularWeight: 409.456663

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3(C=CC=CN3)F)N(C1=O)CCC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3(C=CC=CN3)F)N(C1=O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H24FN5O2/c1-2-13-28-20(29)18-19(26-17(25-18)15-22(23)11-6-7-12-24-22)27(21(28)30)14-10-16-8-4-3-5-9-16/h3-9,11-12,24H,2,10,13-15H2,1H3,(H,25,26)