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

Systemtic Name: 1,3-dimethyl-7-[4-(2-oxidanylidenechromen-4-yl)oxybutyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[4-(2-oxochromen-4-yl)oxybutyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[4-[(2-oxo-1-benzopyran-4-yl)oxy]butyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[4-(2-oxochromen-4-yl)oxybutyl]purine-2,6-dione Traditional Name: 7-[4-(2-ketochromen-4-yl)oxybutyl]-1,3-dimethyl-xanthine Formula: C20H20N4O5 MolecularWeight: 396.3966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCOC3=CC(=O)OC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCOC3=CC(=O)OC4=CC=CC=C43

InChI

InChI=1S/C20H20N4O5/c1-22-18-17(19(26)23(2)20(22)27)24(12-21-18)9-5-6-10-28-15-11-16(25)29-14-8-4-3-7-13(14)15/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3