8-(4-methyl-3-nitro-phenyl)-7H-purine

Systemtic Name: 8-(4-methyl-3-nitro-phenyl)-7H-purine Openeye Name: 8-(4-methyl-3-nitro-phenyl)-7H-purine CAS Name: 8-(4-methyl-3-nitrophenyl)-7H-purine IUPAC Name: 8-(4-methyl-3-nitrophenyl)-7H-purine Traditional Name: 8-(4-methyl-3-nitro-phenyl)-7H-purine Formula: C12H9N5O2 MolecularWeight: 255.23216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=NC=NC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=NC=NC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O2/c1-7-2-3-8(4-10(7)17(18)19)11-15-9-5-13-6-14-12(9)16-11/h2-6H,1H3,(H,13,14,15,16)