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

Systemtic Name: 8-chloranyl-7-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(7-methoxy-2-oxo-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(7-methoxy-2-oxochromen-4-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[(2-keto-7-methoxy-chromen-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C18H15ClN4O5 MolecularWeight: 402.7885

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O5/c1-21-15-14(16(25)22(2)18(21)26)23(17(19)20-15)8-9-6-13(24)28-12-7-10(27-3)4-5-11(9)12/h4-7H,8H2,1-3H3