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

Systemtic Name: 8-diazanyl-7-[3-(4-iodanylphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-hydrazino-7-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-hydrazinyl-7-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-hydrazinyl-7-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-hydrazino-7-[2-hydroxy-3-(4-iodophenoxy)propyl]-3-methyl-xanthine Formula: C15H17IN6O4 MolecularWeight: 472.23775

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN)CC(COC3=CC=C(C=C3)I)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN)CC(COC3=CC=C(C=C3)I)O

InChI

InChI=1S/C15H17IN6O4/c1-21-12-11(13(24)19-15(21)25)22(14(18-12)20-17)6-9(23)7-26-10-4-2-8(16)3-5-10/h2-5,9,23H,6-7,17H2,1H3,(H,18,20)(H,19,24,25)