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

Systemtic Name: 4-bromanyl-7-[(4-chloranyl-3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: 4-bromo-7-[(4-chloro-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: 4-bromo-7-[(4-chloro-3,5-dimethyl-1-oxido-2-pyridin-1-iumyl)methyl]-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 4-bromo-7-[(4-chloro-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [4-bromo-7-[(4-chloro-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amine Formula: C14H13BrClN5O MolecularWeight: 382.64292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C(=C1Cl)C)CN2C=CC3=C2N=C(N=C3Br)N)[O-]

Isomeric SMILES

CC1=C[N+](=C(C(=C1Cl)C)CN2C=CC3=C2N=C(N=C3Br)N)[O-]

InChI

InChI=1S/C14H13BrClN5O/c1-7-5-21(22)10(8(2)11(7)16)6-20-4-3-9-12(15)18-14(17)19-13(9)20/h3-5H,6H2,1-2H3,(H2,17,18,19)