6-chloranyl-9-[(4-methoxy-3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[(4-methoxy-3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]purin-2-amine Openeye Name: 6-chloro-9-[(4-methoxy-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]purin-2-amine CAS Name: 6-chloro-9-[(4-methoxy-3,5-dimethyl-1-oxido-2-pyridin-1-iumyl)methyl]-2-purinamine IUPAC Name: 6-chloro-9-[(4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methyl]purin-2-amine Traditional Name: [6-chloro-9-[(4-methoxy-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]purin-2-yl]amine Formula: C14H15ClN6O2 MolecularWeight: 334.7609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C(=C1OC)C)CN2C=NC3=C2N=C(N=C3Cl)N)[O-]

Isomeric SMILES

CC1=C[N+](=C(C(=C1OC)C)CN2C=NC3=C2N=C(N=C3Cl)N)[O-]

InChI

InChI=1S/C14H15ClN6O2/c1-7-4-21(22)9(8(2)11(7)23-3)5-20-6-17-10-12(15)18-14(16)19-13(10)20/h4,6H,5H2,1-3H3,(H2,16,18,19)