8-[4-[2-(4-ethanoylphenyl)-2-oxidanylidene-ethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[4-[2-(4-ethanoylphenyl)-2-oxidanylidene-ethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[4-[2-(4-acetylphenyl)-2-oxo-ethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[4-[2-(4-acetylphenyl)-2-oxoethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[4-[2-(4-acetylphenyl)-2-oxoethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[4-[2-(4-acetylphenyl)-2-keto-ethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C27H28N4O5/c1-4-14-30-25-23(26(34)31(15-5-2)27(30)35)28-24(29-25)20-10-12-21(13-11-20)36-16-22(33)19-8-6-18(7-9-19)17(3)32/h6-13H,4-5,14-16H2,1-3H3,(H,28,29)