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

Systemtic Name: (4-ethylphenyl) 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoate Openeye Name: (4-ethylphenyl) 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-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetic acid (4-ethylphenyl) ester Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

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