8-bromanyl-1,3-dimethyl-9-(2-propan-2-yloxyethyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-(2-propan-2-yloxyethyl)purine-2,6-dione Openeye Name: 8-bromo-9-(2-isopropoxyethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-(2-propan-2-yloxyethyl)purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-(2-propan-2-yloxyethyl)purine-2,6-dione Traditional Name: 8-bromo-9-(2-isopropoxyethyl)-1,3-dimethyl-xanthine Formula: C12H17BrN4O3 MolecularWeight: 345.19238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCN1C2=C(C(=O)N(C(=O)N2C)C)N=C1Br

Isomeric SMILES

CC(C)OCCN1C2=C(C(=O)N(C(=O)N2C)C)N=C1Br

InChI

InChI=1S/C12H17BrN4O3/c1-7(2)20-6-5-17-9-8(14-11(17)13)10(18)16(4)12(19)15(9)3/h7H,5-6H2,1-4H3