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

Systemtic Name: 8-chloranyl-7-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C19H17ClN4O4 MolecularWeight: 400.81568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C)C

InChI

InChI=1S/C19H17ClN4O4/c1-9-5-12-11(7-14(25)28-13(12)6-10(9)2)8-24-15-16(21-18(24)20)22(3)19(27)23(4)17(15)26/h5-7H,8H2,1-4H3