7-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(7-bromo-2-oxo-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(7-bromo-2-oxo-1-benzopyran-4-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(7-bromo-2-oxochromen-4-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(7-bromo-2-keto-chromen-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C17H13BrN4O4 MolecularWeight: 417.21352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C17H13BrN4O4/c1-20-15-14(16(24)21(2)17(20)25)22(8-19-15)7-9-5-13(23)26-12-6-10(18)3-4-11(9)12/h3-6,8H,7H2,1-2H3