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

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

Systemtic Name:1,3-dimethyl-7-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]purine-2,6-dione
Openeye Name:7-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione
CAS Name:7-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1,3-dimethylpurine-2,6-dione
IUPAC Name:7-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]-1,3-dimethylpurine-2,6-dione
Traditional Name:7-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]-1,3-dimethyl-xanthine
Formula: C18H16N4O5
MolecularWeight: 368.34344
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CN3C=NC4=C3C(=O)N(C(=O)N4C)C)O


Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CN3C=NC4=C3C(=O)N(C(=O)N4C)C)O


InChI

InChI=1S/C18H16N4O5/c1-9-12(23)5-4-11-10(6-13(24)27-15(9)11)7-22-8-19-16-14(22)17(25)21(3)18(26)20(16)2/h4-6,8,23H,7H2,1-3H3


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