4-azanyl-1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-6H-pyrrolo[2,3-d]pyridazin-7-one

Systemtic Name: 4-azanyl-1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 4-amino-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 4-amino-1-(1,3-dihydroxypropan-2-yloxymethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 4-amino-1-(1,3-dihydroxypropan-2-yloxymethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 4-amino-1-[(2-hydroxy-1-methylol-ethoxy)methyl]-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C10H14N4O4 MolecularWeight: 254.24256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C2=C1C(=NNC2=O)N)COC(CO)CO

Isomeric SMILES

C1=CN(C2=C1C(=NNC2=O)N)COC(CO)CO

InChI

InChI=1S/C10H14N4O4/c11-9-7-1-2-14(5-18-6(3-15)4-16)8(7)10(17)13-12-9/h1-2,6,15-16H,3-5H2,(H2,11,12)(H,13,17)