6-(2,4-dinitrophenyl)sulfanyl-9-methyl-purine

Systemtic Name: 6-(2,4-dinitrophenyl)sulfanyl-9-methyl-purine Openeye Name: 6-(2,4-dinitrophenyl)sulfanyl-9-methyl-purine CAS Name: 6-[(2,4-dinitrophenyl)thio]-9-methylpurine IUPAC Name: 6-(2,4-dinitrophenyl)sulfanyl-9-methylpurine Traditional Name: 6-[(2,4-dinitrophenyl)thio]-9-methyl-purine Formula: C12H8N6O4S MolecularWeight: 332.29472

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=CN=C2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=NC2=C1N=CN=C2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H8N6O4S/c1-16-6-15-10-11(16)13-5-14-12(10)23-9-3-2-7(17(19)20)4-8(9)18(21)22/h2-6H,1H3