6-[(2-nitrophenyl)methylsulfanyl]-9-propyl-purin-2-amine

Systemtic Name: 6-[(2-nitrophenyl)methylsulfanyl]-9-propyl-purin-2-amine Openeye Name: 6-[(2-nitrophenyl)methylsulfanyl]-9-propyl-purin-2-amine CAS Name: 6-[(2-nitrophenyl)methylthio]-9-propyl-2-purinamine IUPAC Name: 6-[(2-nitrophenyl)methylsulfanyl]-9-propylpurin-2-amine Traditional Name: [6-[(2-nitrobenzyl)thio]-9-propyl-purin-2-yl]amine Formula: C15H16N6O2S MolecularWeight: 344.39154

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3[N+](=O)[O-])N

Isomeric SMILES

CCCN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3[N+](=O)[O-])N

InChI

InChI=1S/C15H16N6O2S/c1-2-7-20-9-17-12-13(20)18-15(16)19-14(12)24-8-10-5-3-4-6-11(10)21(22)23/h3-6,9H,2,7-8H2,1H3,(H2,16,18,19)