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

Systemtic Name: 7-[(4-bromanyl-3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]-4-chloranyl-5-propan-2-yl-pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: 7-[(4-bromo-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]-4-chloro-5-isopropyl-pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: 7-[(4-bromo-3,5-dimethyl-1-oxido-2-pyridin-1-iumyl)methyl]-4-chloro-5-propan-2-yl-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-[(4-bromo-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methyl]-4-chloro-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [7-[(4-bromo-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]-4-chloro-5-isopropyl-pyrrolo[2,3-d]pyrimidin-2-yl]amine Formula: C17H19BrClN5O MolecularWeight: 424.72266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C(=C1Br)C)CN2C=C(C3=C2N=C(N=C3Cl)N)C(C)C)[O-]

Isomeric SMILES

CC1=C[N+](=C(C(=C1Br)C)CN2C=C(C3=C2N=C(N=C3Cl)N)C(C)C)[O-]

InChI

InChI=1S/C17H19BrClN5O/c1-8(2)11-6-23(16-13(11)15(19)21-17(20)22-16)7-12-10(4)14(18)9(3)5-24(12)25/h5-6,8H,7H2,1-4H3,(H2,20,21,22)