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

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl 2-phenylethanoate Openeye Name: (1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl 2-phenylacetate CAS Name: 2-phenylacetic acid (1,3-dimethyl-2,6-dioxo-7-purinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopurin-7-yl)methyl 2-phenylacetate Traditional Name: 2-phenylacetic acid (2,6-diketo-1,3-dimethyl-purin-7-yl)methyl ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)COC(=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)COC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H16N4O4/c1-18-14-13(15(22)19(2)16(18)23)20(9-17-14)10-24-12(21)8-11-6-4-3-5-7-11/h3-7,9H,8,10H2,1-2H3