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

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: (4-bromo-2-chloro-6-methyl-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-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 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-6-methyl-phenyl) ester Formula: C16H14BrClN4O4 MolecularWeight: 441.66376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)Cl)Br

InChI

InChI=1S/C16H14BrClN4O4/c1-8-4-9(17)5-10(18)13(8)26-11(23)6-22-7-19-14-12(22)15(24)21(3)16(25)20(14)2/h4-5,7H,6H2,1-3H3