2-azanyl-9-[1,3-bis(oxidanyl)propoxymethyl]-8-iodanyl-7-methyl-1-propyl-8H-purin-6-one

Systemtic Name: 2-azanyl-9-[1,3-bis(oxidanyl)propoxymethyl]-8-iodanyl-7-methyl-1-propyl-8H-purin-6-one Openeye Name: 2-amino-9-(1,3-dihydroxypropoxymethyl)-8-iodo-7-methyl-1-propyl-8H-purin-6-one CAS Name: 2-amino-9-(1,3-dihydroxypropoxymethyl)-8-iodo-7-methyl-1-propyl-8H-purin-6-one IUPAC Name: 2-amino-9-(1,3-dihydroxypropoxymethyl)-8-iodo-7-methyl-1-propyl-8H-purin-6-one Traditional Name: 2-amino-9-(1,3-dihydroxypropoxymethyl)-8-iodo-7-methyl-1-propyl-8H-purin-6-one Formula: C13H22IN5O4 MolecularWeight: 439.24935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C1N)N(C(N2C)I)COC(CCO)O

Isomeric SMILES

CCCN1C(=O)C2=C(N=C1N)N(C(N2C)I)COC(CCO)O

InChI

InChI=1S/C13H22IN5O4/c1-3-5-18-11(22)9-10(16-13(18)15)19(12(14)17(9)2)7-23-8(21)4-6-20/h8,12,20-21H,3-7H2,1-2H3,(H2,15,16)