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

Systemtic Name: 7-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(7-bromo-2-oxo-chromen-4-yl)methyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(7-bromo-2-oxo-1-benzopyran-4-yl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(7-bromo-2-oxochromen-4-yl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(7-bromo-2-keto-chromen-4-yl)methyl]-8-chloro-1,3-dimethyl-xanthine Formula: C17H12BrClN4O4 MolecularWeight: 451.65858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrClN4O4/c1-21-14-13(15(25)22(2)17(21)26)23(16(19)20-14)7-8-5-12(24)27-11-6-9(18)3-4-10(8)11/h3-6H,7H2,1-2H3