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

Systemtic Name: 9-(2-methylpropyl)-6-[(2-nitrophenyl)methylsulfanyl]purin-2-amine Openeye Name: 9-isobutyl-6-[(2-nitrophenyl)methylsulfanyl]purin-2-amine CAS Name: 9-(2-methylpropyl)-6-[(2-nitrophenyl)methylthio]-2-purinamine IUPAC Name: 9-(2-methylpropyl)-6-[(2-nitrophenyl)methylsulfanyl]purin-2-amine Traditional Name: [9-isobutyl-6-[(2-nitrobenzyl)thio]purin-2-yl]amine Formula: C16H18N6O2S MolecularWeight: 358.41812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3[N+](=O)[O-])N

Isomeric SMILES

CC(C)CN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3[N+](=O)[O-])N

InChI

InChI=1S/C16H18N6O2S/c1-10(2)7-21-9-18-13-14(21)19-16(17)20-15(13)25-8-11-5-3-4-6-12(11)22(23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,17,19,20)