(2,6-dimethylphenyl) 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: (2,6-dimethylphenyl) 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: (2,6-dimethylphenyl) 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid (2,6-dimethylphenyl) ester Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H18N4O4/c1-10-6-5-7-11(2)14(10)25-12(22)8-21-9-18-15-13(21)16(23)20(4)17(24)19(15)3/h5-7,9H,8H2,1-4H3