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

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: 2-(3-bromophenoxy)ethyl 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-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 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-(3-bromophenoxy)ethyl ester Formula: C17H17BrN4O5 MolecularWeight: 437.24468

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)OCCOC3=CC(=CC=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H17BrN4O5/c1-20-15-14(16(24)21(2)17(20)25)22(10-19-15)9-13(23)27-7-6-26-12-5-3-4-11(18)8-12/h3-5,8,10H,6-7,9H2,1-2H3