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

Systemtic Name: (phenylmethyl) 2-[6-(3-chlorophenyl)-4,7-dimethyl-1,3-bis(oxidanylidene)purino[7,8-a]imidazol-2-yl]ethanoate Openeye Name: benzyl 2-[6-(3-chlorophenyl)-4,7-dimethyl-1,3-dioxo-purino[7,8-a]imidazol-2-yl]acetate CAS Name: 2-[6-(3-chlorophenyl)-4,7-dimethyl-1,3-dioxo-2-purino[7,8-a]imidazolyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-(3-chlorophenyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate Traditional Name: 2-[6-(3-chlorophenyl)-1,3-diketo-4,7-dimethyl-purin[7,8-a]imidazol-2-yl]acetic acid benzyl ester Formula: C24H20ClN5O4 MolecularWeight: 477.8997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4=CC(=CC=C4)Cl)N(C(=O)N(C3=O)CC(=O)OCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4=CC(=CC=C4)Cl)N(C(=O)N(C3=O)CC(=O)OCC5=CC=CC=C5)C

InChI

InChI=1S/C24H20ClN5O4/c1-15-12-28-20-21(26-23(28)30(15)18-10-6-9-17(25)11-18)27(2)24(33)29(22(20)32)13-19(31)34-14-16-7-4-3-5-8-16/h3-12H,13-14H2,1-2H3