8-bromanyl-1,3-dimethyl-7H-purine-2,6-dione; N,N-diethylethanamine

Systemtic Name: 8-bromanyl-1,3-dimethyl-7H-purine-2,6-dione; N,N-diethylethanamine Openeye Name: 8-bromo-1,3-dimethyl-7H-purine-2,6-dione; N,N-diethylethanamine CAS Name: 8-bromo-1,3-dimethyl-7H-purine-2,6-dione; N,N-diethylethanamine IUPAC Name: 8-bromo-1,3-dimethyl-7H-purine-2,6-dione; N,N-diethylethanamine Traditional Name: 8-bromo-1,3-dimethyl-7H-purine-2,6-quinone; triethylamine Formula: C13H22BrN5O2 MolecularWeight: 360.25008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br

Isomeric SMILES

CCN(CC)CC.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br

InChI

InChI=1S/C7H7BrN4O2.C6H15N/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4-7(5-2)6-3/h1-2H3,(H,9,10);4-6H2,1-3H3