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

Systemtic Name: 4-chloranyl-7-[(5-methoxy-4,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: 4-chloro-7-[(5-methoxy-4,6-dimethyl-1-oxido-pyridin-1-ium-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: 4-chloro-7-[(5-methoxy-4,6-dimethyl-1-oxido-3-pyridin-1-iumyl)methyl]-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 4-chloro-7-[(5-methoxy-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [4-chloro-7-[(5-methoxy-4,6-dimethyl-1-oxido-pyridin-1-ium-3-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(C(=[N+](C=C1CN2C=CC3=C2N=C(N=C3Cl)N)[O-])C)OC

Isomeric SMILES

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

InChI

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