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

Systemtic Name: 4-chloranyl-7-[(4-methoxy-3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: 4-chloro-7-[(4-methoxy-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: 4-chloro-7-[(4-methoxy-3,5-dimethyl-1-oxido-2-pyridin-1-iumyl)methyl]-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 4-chloro-7-[(4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [4-chloro-7-[(4-methoxy-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amine Formula: C15H16ClN5O2 MolecularWeight: 333.77284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C(=C1OC)C)CN2C=CC3=C2N=C(N=C3Cl)N)[O-]

Isomeric SMILES

CC1=C[N+](=C(C(=C1OC)C)CN2C=CC3=C2N=C(N=C3Cl)N)[O-]

InChI

InChI=1S/C15H16ClN5O2/c1-8-6-21(22)11(9(2)12(8)23-3)7-20-5-4-10-13(16)18-15(17)19-14(10)20/h4-6H,7H2,1-3H3,(H2,17,18,19)