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

Systemtic Name: 7-[(3-bromanyl-4,5,6-trimethoxy-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]-4-chloranyl-pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: 7-[(3-bromo-4,5,6-trimethoxy-1-oxido-pyridin-1-ium-2-yl)methyl]-4-chloro-pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: 7-[(3-bromo-4,5,6-trimethoxy-1-oxido-2-pyridin-1-iumyl)methyl]-4-chloro-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-[(3-bromo-4,5,6-trimethoxy-1-oxidopyridin-1-ium-2-yl)methyl]-4-chloropyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [7-[(3-bromo-4,5,6-trimethoxy-1-oxido-pyridin-1-ium-2-yl)methyl]-4-chloro-pyrrolo[2,3-d]pyrimidin-2-yl]amine Formula: C15H15BrClN5O4 MolecularWeight: 444.6677

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=[N+](C(=C1Br)CN2C=CC3=C2N=C(N=C3Cl)N)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=[N+](C(=C1Br)CN2C=CC3=C2N=C(N=C3Cl)N)[O-])OC)OC

InChI

InChI=1S/C15H15BrClN5O4/c1-24-10-9(16)8(22(23)14(26-3)11(10)25-2)6-21-5-4-7-12(17)19-15(18)20-13(7)21/h4-5H,6H2,1-3H3,(H2,18,19,20)