1,3-dimethyl-7-[5-(2-oxidanylidenechromen-4-yl)oxypentyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[5-(2-oxidanylidenechromen-4-yl)oxypentyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[5-(2-oxochromen-4-yl)oxypentyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[5-[(2-oxo-1-benzopyran-4-yl)oxy]pentyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[5-(2-oxochromen-4-yl)oxypentyl]purine-2,6-dione Traditional Name: 7-[5-(2-ketochromen-4-yl)oxypentyl]-1,3-dimethyl-xanthine Formula: C21H22N4O5 MolecularWeight: 410.42318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCOC3=CC(=O)OC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCOC3=CC(=O)OC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O5/c1-23-19-18(20(27)24(2)21(23)28)25(13-22-19)10-6-3-7-11-29-16-12-17(26)30-15-9-5-4-8-14(15)16/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3