6-[2-(4-nitrophenyl)propan-2-ylsulfanyl]-7H-purine

Systemtic Name: 6-[2-(4-nitrophenyl)propan-2-ylsulfanyl]-7H-purine Openeye Name: 6-[1-methyl-1-(4-nitrophenyl)ethyl]sulfanyl-7H-purine CAS Name: 6-[2-(4-nitrophenyl)propan-2-ylthio]-7H-purine IUPAC Name: 6-[2-(4-nitrophenyl)propan-2-ylsulfanyl]-7H-purine Traditional Name: 6-[[1-methyl-1-(4-nitrophenyl)ethyl]thio]-7H-purine Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O2S/c1-14(2,9-3-5-10(6-4-9)19(20)21)22-13-11-12(16-7-15-11)17-8-18-13/h3-8H,1-2H3,(H,15,16,17,18)