(6-bromanylnaphthalen-2-yl) 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: (6-bromanylnaphthalen-2-yl) 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: (6-bromo-2-naphthyl) 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid (6-bromo-2-naphthalenyl) ester IUPAC Name: (6-bromonaphthalen-2-yl) 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid (6-bromo-2-naphthyl) ester Formula: C19H15BrN4O4 MolecularWeight: 443.2508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OC3=CC4=C(C=C3)C=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OC3=CC4=C(C=C3)C=C(C=C4)Br

InChI

InChI=1S/C19H15BrN4O4/c1-22-17-16(18(26)23(2)19(22)27)24(10-21-17)9-15(25)28-14-6-4-11-7-13(20)5-3-12(11)8-14/h3-8,10H,9H2,1-2H3