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

Systemtic Name: 8-[4-[2-(4-iodophenyl)-2-oxidanylidene-ethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[4-[2-(4-iodophenyl)-2-oxo-ethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[4-[2-(4-iodophenyl)-2-oxoethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[4-[2-(4-iodophenyl)-2-oxoethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[4-[2-(4-iodophenyl)-2-keto-ethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C25H25IN4O4 MolecularWeight: 572.39487

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C25H25IN4O4/c1-3-13-29-23-21(24(32)30(14-4-2)25(29)33)27-22(28-23)17-7-11-19(12-8-17)34-15-20(31)16-5-9-18(26)10-6-16/h5-12H,3-4,13-15H2,1-2H3,(H,27,28)