(phenylmethyl) 2-[6-(4-fluorophenyl)-4,7,8-trimethyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-2-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[6-(4-fluorophenyl)-4,7,8-trimethyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-2-yl]ethanoate Openeye Name: benzyl 2-[6-(4-fluorophenyl)-4,7,8-trimethyl-1,3-dioxo-purino[7,8-a]imidazol-2-yl]acetate CAS Name: 2-[6-(4-fluorophenyl)-4,7,8-trimethyl-1,3-dioxo-2-purino[7,8-a]imidazolyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-(4-fluorophenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate Traditional Name: 2-[6-(4-fluorophenyl)-1,3-diketo-4,7,8-trimethyl-purin[7,8-a]imidazol-2-yl]acetic acid benzyl ester Formula: C25H22FN5O4 MolecularWeight: 475.471683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1C4=CC=C(C=C4)F)N(C(=O)N(C3=O)CC(=O)OCC5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4=CC=C(C=C4)F)N(C(=O)N(C3=O)CC(=O)OCC5=CC=CC=C5)C)C

InChI

InChI=1S/C25H22FN5O4/c1-15-16(2)31-21-22(27-24(31)30(15)19-11-9-18(26)10-12-19)28(3)25(34)29(23(21)33)13-20(32)35-14-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3