7-[3-(4-iodanylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 7-[3-(4-iodanylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-methyl-8-morpholino-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-methyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-methyl-8-morpholino-xanthine Formula: C19H22IN5O5 MolecularWeight: 527.31295

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC(COC4=CC=C(C=C4)I)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CC(COC4=CC=C(C=C4)I)O

InChI

InChI=1S/C19H22IN5O5/c1-23-16-15(17(27)22-19(23)28)25(18(21-16)24-6-8-29-9-7-24)10-13(26)11-30-14-4-2-12(20)3-5-14/h2-5,13,26H,6-11H2,1H3,(H,22,27,28)