(phenylmethyl) 2,8-bis(oxidanylidene)-9-propan-2-yl-3H-purine-7-carboxylate

Systemtic Name: (phenylmethyl) 2,8-bis(oxidanylidene)-9-propan-2-yl-3H-purine-7-carboxylate Openeye Name: benzyl 9-isopropyl-2,8-dioxo-3H-purine-7-carboxylate CAS Name: 2,8-dioxo-9-propan-2-yl-3H-purine-7-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2,8-dioxo-9-propan-2-yl-3H-purine-7-carboxylate Traditional Name: 9-isopropyl-2,8-diketo-3H-purine-7-carboxylic acid benzyl ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=NC(=O)N2)N(C1=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C2=C(C=NC(=O)N2)N(C1=O)C(=O)OCC3=CC=CC=C3

InChI

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