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

Systemtic Name: (phenylmethyl) 2-[4,7,8-trimethyl-6-(3-methylphenyl)-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-2-yl]ethanoate Openeye Name: benzyl 2-[4,7,8-trimethyl-6-(m-tolyl)-1,3-dioxo-purino[7,8-a]imidazol-2-yl]acetate CAS Name: 2-[4,7,8-trimethyl-6-(3-methylphenyl)-1,3-dioxo-2-purino[7,8-a]imidazolyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4,7,8-trimethyl-6-(3-methylphenyl)-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate Traditional Name: 2-[1,3-diketo-4,7,8-trimethyl-6-(m-tolyl)purin[7,8-a]imidazol-2-yl]acetic acid benzyl ester Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)OCC5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)OCC5=CC=CC=C5)C)C

InChI

InChI=1S/C26H25N5O4/c1-16-9-8-12-20(13-16)30-17(2)18(3)31-22-23(27-25(30)31)28(4)26(34)29(24(22)33)14-21(32)35-15-19-10-6-5-7-11-19/h5-13H,14-15H2,1-4H3