9-(2-methylpropyl)-6-phenethylsulfanyl-purin-2-amine

Systemtic Name: 9-(2-methylpropyl)-6-phenethylsulfanyl-purin-2-amine Openeye Name: 9-isobutyl-6-phenethylsulfanyl-purin-2-amine CAS Name: 9-(2-methylpropyl)-6-(phenethylthio)-2-purinamine IUPAC Name: 9-(2-methylpropyl)-6-phenethylsulfanylpurin-2-amine Traditional Name: [9-isobutyl-6-(phenethylthio)purin-2-yl]amine Formula: C17H21N5S MolecularWeight: 327.44714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1N=C(N=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CC(C)CN1C=NC2=C1N=C(N=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C17H21N5S/c1-12(2)10-22-11-19-14-15(22)20-17(18)21-16(14)23-9-8-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H2,18,20,21)