2-azanyl-7-methyl-9-[oxidanyl(3-oxidanylpropoxy)methyl]-1-propyl-8H-purin-6-one iodide

Systemtic Name: 2-azanyl-7-methyl-9-[oxidanyl(3-oxidanylpropoxy)methyl]-1-propyl-8H-purin-6-one iodide Openeye Name: 2-amino-9-[hydroxy(3-hydroxypropoxy)methyl]-7-methyl-1-propyl-8H-purin-6-one iodide CAS Name: 2-amino-9-[hydroxy(3-hydroxypropoxy)methyl]-7-methyl-1-propyl-8H-purin-6-one iodide IUPAC Name: 2-amino-9-[hydroxy(3-hydroxypropoxy)methyl]-7-methyl-1-propyl-8H-purin-6-one iodide Traditional Name: 2-amino-9-[hydroxy(3-hydroxypropoxy)methyl]-7-methyl-1-propyl-8H-purin-6-one iodide Formula: C13H23IN5O4- MolecularWeight: 440.25729

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C1N)N(CN2C)C(O)OCCCO.[I-]

Isomeric SMILES

CCCN1C(=O)C2=C(N=C1N)N(CN2C)C(O)OCCCO.[I-]

InChI

InChI=1S/C13H23N5O4.HI/c1-3-5-17-11(20)9-10(15-12(17)14)18(8-16(9)2)13(21)22-7-4-6-19;/h13,19,21H,3-8H2,1-2H3,(H2,14,15);1H/p-1