(phenylmethyl) 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: benzyl 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid benzyl ester Formula: C16H15BrN4O4 MolecularWeight: 407.2187

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H15BrN4O4/c1-19-13-12(14(23)20(2)16(19)24)21(15(17)18-13)8-11(22)25-9-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3