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

Systemtic Name: 8-[6-[2-(4-iodophenyl)-2-oxidanylidene-ethoxy]pyridazin-3-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[6-[2-(4-iodophenyl)-2-oxo-ethoxy]pyridazin-3-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[6-[2-(4-iodophenyl)-2-oxoethoxy]-3-pyridazinyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[6-[2-(4-iodophenyl)-2-oxoethoxy]pyridazin-3-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[6-[2-(4-iodophenyl)-2-keto-ethoxy]pyridazin-3-yl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C23H23IN6O4 MolecularWeight: 574.37099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23IN6O4/c1-3-11-29-21-19(22(32)30(12-4-2)23(29)33)25-20(26-21)16-9-10-18(28-27-16)34-13-17(31)14-5-7-15(24)8-6-14/h5-10H,3-4,11-13H2,1-2H3,(H,25,26)