6-chloranyl-9-(4-methyl-3-nitro-phenyl)purine

Systemtic Name: 6-chloranyl-9-(4-methyl-3-nitro-phenyl)purine Openeye Name: 6-chloro-9-(4-methyl-3-nitro-phenyl)purine CAS Name: 6-chloro-9-(4-methyl-3-nitrophenyl)purine IUPAC Name: 6-chloro-9-(4-methyl-3-nitrophenyl)purine Traditional Name: 6-chloro-9-(4-methyl-3-nitro-phenyl)purine Formula: C12H8ClN5O2 MolecularWeight: 289.67722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NC3=C2N=CN=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NC3=C2N=CN=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H8ClN5O2/c1-7-2-3-8(4-9(7)18(19)20)17-6-16-10-11(13)14-5-15-12(10)17/h2-6H,1H3