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

Systemtic Name: 7-[(6-bromanyl-4-methoxy-3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]-4-chloranyl-pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: 7-[(6-bromo-4-methoxy-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]-4-chloro-pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: 7-[(6-bromo-4-methoxy-3,5-dimethyl-1-oxido-2-pyridin-1-iumyl)methyl]-4-chloro-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-[(6-bromo-4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methyl]-4-chloropyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [7-[(6-bromo-4-methoxy-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]-4-chloro-pyrrolo[2,3-d]pyrimidin-2-yl]amine Formula: C15H15BrClN5O2 MolecularWeight: 412.6689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C([N+](=C1CN2C=CC3=C2N=C(N=C3Cl)N)[O-])Br)C)OC

Isomeric SMILES

CC1=C(C(=C([N+](=C1CN2C=CC3=C2N=C(N=C3Cl)N)[O-])Br)C)OC

InChI

InChI=1S/C15H15BrClN5O2/c1-7-10(22(23)12(16)8(2)11(7)24-3)6-21-5-4-9-13(17)19-15(18)20-14(9)21/h4-5H,6H2,1-3H3,(H2,18,19,20)