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

Systemtic Name: phenyl 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoate Openeye Name: phenyl 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetate CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)acetic acid phenyl ester IUPAC Name: phenyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetic acid phenyl ester Formula: C15H14N4O4 MolecularWeight: 314.29606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)OC3=CC=CC=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C15H14N4O4/c1-17-9-16-13-12(17)14(21)19(15(22)18(13)2)8-11(20)23-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3