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

Systemtic Name: 6-[2-(4-nitrophenyl)propan-2-ylsulfanyl]-7H-purin-2-amine Openeye Name: 6-[1-methyl-1-(4-nitrophenyl)ethyl]sulfanyl-7H-purin-2-amine CAS Name: 6-[2-(4-nitrophenyl)propan-2-ylthio]-7H-purin-2-amine IUPAC Name: 6-[2-(4-nitrophenyl)propan-2-ylsulfanyl]-7H-purin-2-amine Traditional Name: [6-[[1-methyl-1-(4-nitrophenyl)ethyl]thio]-7H-purin-2-yl]amine Formula: C14H14N6O2S MolecularWeight: 330.36496

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C14H14N6O2S/c1-14(2,8-3-5-9(6-4-8)20(21)22)23-12-10-11(17-7-16-10)18-13(15)19-12/h3-7H,1-2H3,(H3,15,16,17,18,19)