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

Systemtic Name: 8-[4-[2-(4-iodanylpyrazol-1-yl)ethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[4-[2-(4-iodopyrazol-1-yl)ethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[4-[2-(4-iodo-1-pyrazolyl)ethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[4-[2-(4-iodopyrazol-1-yl)ethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[4-[2-(4-iodopyrazol-1-yl)ethoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C22H25IN6O3 MolecularWeight: 548.37677

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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)OCCN4C=C(C=N4)I

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCCN4C=C(C=N4)I

InChI

InChI=1S/C22H25IN6O3/c1-3-9-28-20-18(21(30)29(10-4-2)22(28)31)25-19(26-20)15-5-7-17(8-6-15)32-12-11-27-14-16(23)13-24-27/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,25,26)