4-azanyl-1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-5-iodanyl-pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-5-iodanyl-pyrimidin-2-one Openeye Name: 4-amino-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-5-iodo-pyrimidin-2-one CAS Name: 4-amino-1-(1,3-dihydroxypropan-2-yloxymethyl)-5-iodo-2-pyrimidinone IUPAC Name: 4-amino-1-(1,3-dihydroxypropan-2-yloxymethyl)-5-iodopyrimidin-2-one Traditional Name: 4-amino-1-[(2-hydroxy-1-methylol-ethoxy)methyl]-5-iodo-pyrimidin-2-one Formula: C8H12IN3O4 MolecularWeight: 341.10305

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=O)N1COC(CO)CO)N)I

Isomeric SMILES

C1=C(C(=NC(=O)N1COC(CO)CO)N)I

InChI

InChI=1S/C8H12IN3O4/c9-6-1-12(8(15)11-7(6)10)4-16-5(2-13)3-14/h1,5,13-14H,2-4H2,(H2,10,11,15)