6-chloranyl-9-[(4,6-dimethyl-5-nitro-pyridin-3-yl)methyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[(4,6-dimethyl-5-nitro-pyridin-3-yl)methyl]purin-2-amine Openeye Name: 6-chloro-9-[(4,6-dimethyl-5-nitro-3-pyridyl)methyl]purin-2-amine CAS Name: 6-chloro-9-[(4,6-dimethyl-5-nitro-3-pyridinyl)methyl]-2-purinamine IUPAC Name: 6-chloro-9-[(4,6-dimethyl-5-nitropyridin-3-yl)methyl]purin-2-amine Traditional Name: [6-chloro-9-[(4,6-dimethyl-5-nitro-3-pyridyl)methyl]purin-2-yl]amine Formula: C13H12ClN7O2 MolecularWeight: 333.73308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1CN2C=NC3=C2N=C(N=C3Cl)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC=C1CN2C=NC3=C2N=C(N=C3Cl)N)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12ClN7O2/c1-6-8(3-16-7(2)10(6)21(22)23)4-20-5-17-9-11(14)18-13(15)19-12(9)20/h3,5H,4H2,1-2H3,(H2,15,18,19)