8-[5-[2-(4-ethanoylphenyl)-2-oxidanylidene-ethoxy]pyridin-2-yl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[5-[2-(4-ethanoylphenyl)-2-oxidanylidene-ethoxy]pyridin-2-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[5-[2-(4-acetylphenyl)-2-oxo-ethoxy]-2-pyridyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[5-[2-(4-acetylphenyl)-2-oxoethoxy]-2-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[5-[2-(4-acetylphenyl)-2-oxoethoxy]pyridin-2-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[5-[2-(4-acetylphenyl)-2-keto-ethoxy]-2-pyridyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C26H27N5O5 MolecularWeight: 489.52308

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H27N5O5/c1-4-12-30-24-22(25(34)31(13-5-2)26(30)35)28-23(29-24)20-11-10-19(14-27-20)36-15-21(33)18-8-6-17(7-9-18)16(3)32/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,28,29)