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

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]purine-2,6-dione Openeye Name: 8-bromo-9-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C18H15BrN4O5 MolecularWeight: 447.2395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br)O

InChI

InChI=1S/C18H15BrN4O5/c1-8-11(24)5-4-10-9(6-12(25)28-14(8)10)7-23-15-13(20-17(23)19)16(26)22(3)18(27)21(15)2/h4-6,24H,7H2,1-3H3