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

Systemtic Name: (phenylmethyl) 2-[6-(3-methoxyphenyl)-4,7,8-trimethyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-2-yl]ethanoate Openeye Name: benzyl 2-[6-(3-methoxyphenyl)-4,7,8-trimethyl-1,3-dioxo-purino[7,8-a]imidazol-2-yl]acetate CAS Name: 2-[6-(3-methoxyphenyl)-4,7,8-trimethyl-1,3-dioxo-2-purino[7,8-a]imidazolyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-(3-methoxyphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate Traditional Name: 2-[1,3-diketo-6-(3-methoxyphenyl)-4,7,8-trimethyl-purin[7,8-a]imidazol-2-yl]acetic acid benzyl ester Formula: C26H25N5O5 MolecularWeight: 487.5072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O5/c1-16-17(2)31-22-23(27-25(31)30(16)19-11-8-12-20(13-19)35-4)28(3)26(34)29(24(22)33)14-21(32)36-15-18-9-6-5-7-10-18/h5-13H,14-15H2,1-4H3