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

Systemtic Name: 4-bromanyl-7-[(3,4,5-trimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: 4-bromo-7-[(3,4,5-trimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: 4-bromo-7-[(3,4,5-trimethyl-1-oxido-2-pyridin-1-iumyl)methyl]-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 4-bromo-7-[(3,4,5-trimethyl-1-oxidopyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [4-bromo-7-[(3,4,5-trimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amine Formula: C15H16BrN5O MolecularWeight: 362.22444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C(=C1C)C)CN2C=CC3=C2N=C(N=C3Br)N)[O-]

Isomeric SMILES

CC1=C[N+](=C(C(=C1C)C)CN2C=CC3=C2N=C(N=C3Br)N)[O-]

InChI

InChI=1S/C15H16BrN5O/c1-8-6-21(22)12(10(3)9(8)2)7-20-5-4-11-13(16)18-15(17)19-14(11)20/h4-6H,7H2,1-3H3,(H2,17,18,19)