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

Systemtic Name: (phenylmethyl) 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: benzyl 2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)acetic acid benzyl ester Formula: C15H13BrN4O4 MolecularWeight: 393.19212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C15H13BrN4O4/c1-19-12-11(13(22)18-15(19)23)20(14(16)17-12)7-10(21)24-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,18,22,23)