8-bromanyl-9-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[(7-ethyl-2-oxo-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[(7-ethyl-2-oxochromen-4-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[(7-ethyl-2-keto-chromen-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C19H17BrN4O4 MolecularWeight: 445.26668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

InChI

InChI=1S/C19H17BrN4O4/c1-4-10-5-6-12-11(8-14(25)28-13(12)7-10)9-24-16-15(21-18(24)20)17(26)23(3)19(27)22(16)2/h5-8H,4,9H2,1-3H3