2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl dihydrogen phosphate

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl dihydrogen phosphate Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl dihydrogen phosphate CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl dihydrogen phosphate IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl dihydrogen phosphate Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl dihydrogen phosphate Formula: C9H12BrN4O6P MolecularWeight: 383.092541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCOP(=O)(O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCOP(=O)(O)O

InChI

InChI=1S/C9H12BrN4O6P/c1-12-6-5(7(15)13(2)9(12)16)14(8(10)11-6)3-4-20-21(17,18)19/h3-4H2,1-2H3,(H2,17,18,19)