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

Systemtic Name: (4-bromophenyl)methyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: (4-bromophenyl)methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid (4-bromobenzyl) 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)CC(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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