6-[2-(5-nitrothiophen-2-yl)propan-2-ylsulfanyl]-7H-purine

Systemtic Name: 6-[2-(5-nitrothiophen-2-yl)propan-2-ylsulfanyl]-7H-purine Openeye Name: 6-[1-methyl-1-(5-nitro-2-thienyl)ethyl]sulfanyl-7H-purine CAS Name: 6-[2-(5-nitro-2-thiophenyl)propan-2-ylthio]-7H-purine IUPAC Name: 6-[2-(5-nitrothiophen-2-yl)propan-2-ylsulfanyl]-7H-purine Traditional Name: 6-[[1-methyl-1-(5-nitro-2-thienyl)ethyl]thio]-7H-purine Formula: C12H11N5O2S2 MolecularWeight: 321.37804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(S1)[N+](=O)[O-])SC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC(C)(C1=CC=C(S1)[N+](=O)[O-])SC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H11N5O2S2/c1-12(2,7-3-4-8(20-7)17(18)19)21-11-9-10(14-5-13-9)15-6-16-11/h3-6H,1-2H3,(H,13,14,15,16)