2-azanyl-4-bromanyl-7-[(3,4,5-trimethoxy-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one

Systemtic Name: 2-azanyl-4-bromanyl-7-[(3,4,5-trimethoxy-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one Openeye Name: 2-amino-4-bromo-7-[(3,4,5-trimethoxy-1-oxido-pyridin-1-ium-2-yl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one CAS Name: 2-amino-4-bromo-7-[(3,4,5-trimethoxy-1-oxido-2-pyridin-1-iumyl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one IUPAC Name: 2-amino-4-bromo-7-[(3,4,5-trimethoxy-1-oxidopyridin-1-ium-2-yl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one Traditional Name: 2-amino-4-bromo-7-[(3,4,5-trimethoxy-1-oxido-pyridin-1-ium-2-yl)methyl]-6H-pyrrolo[2,3-d]pyrimidin-5-one Formula: C15H16BrN5O5 MolecularWeight: 426.22204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C[N+](=C(C(=C1OC)OC)CN2CC(=O)C3=C2N=C(N=C3Br)N)[O-]

Isomeric SMILES

COC1=C[N+](=C(C(=C1OC)OC)CN2CC(=O)C3=C2N=C(N=C3Br)N)[O-]

InChI

InChI=1S/C15H16BrN5O5/c1-24-9-6-21(23)7(11(25-2)12(9)26-3)4-20-5-8(22)10-13(16)18-15(17)19-14(10)20/h6H,4-5H2,1-3H3,(H2,17,18,19)