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

Systemtic Name: (4-methylphenyl) 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoate Openeye Name: p-tolyl 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetate CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)acetic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetic acid p-tolyl ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C16H16N4O4/c1-10-4-6-11(7-5-10)24-12(21)8-20-15(22)13-14(17-9-18(13)2)19(3)16(20)23/h4-7,9H,8H2,1-3H3