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

Systemtic Name: 1,3-dimethyl-7-[3-(2-oxidanylidenechromen-4-yl)oxypropyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-(2-oxochromen-4-yl)oxypropyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-[(2-oxo-1-benzopyran-4-yl)oxy]propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-(2-oxochromen-4-yl)oxypropyl]purine-2,6-dione Traditional Name: 7-[3-(2-ketochromen-4-yl)oxypropyl]-1,3-dimethyl-xanthine Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCOC3=CC(=O)OC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCOC3=CC(=O)OC4=CC=CC=C43

InChI

InChI=1S/C19H18N4O5/c1-21-17-16(18(25)22(2)19(21)26)23(11-20-17)8-5-9-27-14-10-15(24)28-13-7-4-3-6-12(13)14/h3-4,6-7,10-11H,5,8-9H2,1-2H3