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

Systemtic Name: 4-azanyl-1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-3-bromanyl-6H-pyrrolo[2,3-d]pyridazin-7-one Openeye Name: 4-amino-3-bromo-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6H-pyrrolo[2,3-d]pyridazin-7-one CAS Name: 4-amino-3-bromo-1-(1,3-dihydroxypropan-2-yloxymethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one IUPAC Name: 4-amino-3-bromo-1-(1,3-dihydroxypropan-2-yloxymethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one Traditional Name: 4-amino-3-bromo-1-[(2-hydroxy-1-methylol-ethoxy)methyl]-6H-pyrrolo[2,3-d]pyridazin-7-one Formula: C10H13BrN4O4 MolecularWeight: 333.13862

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=C(N1COC(CO)CO)C(=O)NN=C2N)Br

Isomeric SMILES

C1=C(C2=C(N1COC(CO)CO)C(=O)NN=C2N)Br

InChI

InChI=1S/C10H13BrN4O4/c11-6-1-15(4-19-5(2-16)3-17)8-7(6)9(12)13-14-10(8)18/h1,5,16-17H,2-4H2,(H2,12,13)(H,14,18)