1,3-dimethyl-7-[6-(2-oxidanylidenechromen-4-yl)oxyhexyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[6-(2-oxidanylidenechromen-4-yl)oxyhexyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[6-(2-oxochromen-4-yl)oxyhexyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[6-[(2-oxo-1-benzopyran-4-yl)oxy]hexyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[6-(2-oxochromen-4-yl)oxyhexyl]purine-2,6-dione Traditional Name: 7-[6-(2-ketochromen-4-yl)oxyhexyl]-1,3-dimethyl-xanthine Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCOC3=CC(=O)OC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCOC3=CC(=O)OC4=CC=CC=C43

InChI

InChI=1S/C22H24N4O5/c1-24-20-19(21(28)25(2)22(24)29)26(14-23-20)11-7-3-4-8-12-30-17-13-18(27)31-16-10-6-5-9-15(16)17/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3