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

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetate CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)acetic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetate Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C18H16BrN5O5 MolecularWeight: 462.25414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C18H16BrN5O5/c1-4-28-12-6-10(7-20)5-11(19)15(12)29-13(25)8-24-17(26)14-16(21-9-22(14)2)23(3)18(24)27/h5-6,9H,4,8H2,1-3H3