2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-6-(3-methoxypropyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-6-(3-methoxypropyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-[2-(4-fluorophenyl)-2-oxo-ethyl]-6-(3-methoxypropyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-[2-(4-fluorophenyl)-2-oxoethyl]-6-(3-methoxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-[2-(4-fluorophenyl)-2-oxoethyl]-6-(3-methoxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-[2-(4-fluorophenyl)-2-keto-ethyl]-6-(3-methoxypropyl)-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H24FN5O4 MolecularWeight: 441.455463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CCCOC)N(C(=O)N(C3=O)CC(=O)C4=CC=C(C=C4)F)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CCCOC)N(C(=O)N(C3=O)CC(=O)C4=CC=C(C=C4)F)C)C

InChI

InChI=1S/C22H24FN5O4/c1-13-14(2)28-18-19(24-21(28)26(13)10-5-11-32-4)25(3)22(31)27(20(18)30)12-17(29)15-6-8-16(23)9-7-15/h6-9H,5,10-12H2,1-4H3