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

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: (2-bromo-4-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 (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-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 (2-bromo-4-methyl-phenyl) ester Formula: C16H15BrN4O4 MolecularWeight: 407.2187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)Br

InChI

InChI=1S/C16H15BrN4O4/c1-9-4-5-11(10(17)6-9)25-12(22)7-21-8-18-14-13(21)15(23)20(3)16(24)19(14)2/h4-6,8H,7H2,1-3H3