(4-bromanyl-2-chloranyl-phenyl) 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: (4-bromo-2-chloro-phenyl) 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-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 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-bromo-2-chloro-phenyl) ester Formula: C15H12BrClN4O4 MolecularWeight: 427.63718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C15H12BrClN4O4/c1-19-13-12(14(23)20(2)15(19)24)21(7-18-13)6-11(22)25-10-4-3-8(16)5-9(10)17/h3-5,7H,6H2,1-2H3