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9-(2-methylbutyl)-6-(phenylmethylsulfanyl)purin-2-amine

9-(2-methylbutyl)-6-(phenylmethylsulfanyl)purin-2-amine

Systemtic Name:9-(2-methylbutyl)-6-(phenylmethylsulfanyl)purin-2-amine
Openeye Name:6-benzylsulfanyl-9-(2-methylbutyl)purin-2-amine
CAS Name:9-(2-methylbutyl)-6-(phenylmethylthio)-2-purinamine
IUPAC Name:6-benzylsulfanyl-9-(2-methylbutyl)purin-2-amine
Traditional Name:[6-(benzylthio)-9-(2-methylbutyl)purin-2-yl]amine
Formula: C17H21N5S
MolecularWeight: 327.44714
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3)N


Isomeric SMILES

CCC(C)CN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3)N


InChI

InChI=1S/C17H21N5S/c1-3-12(2)9-22-11-19-14-15(22)20-17(18)21-16(14)23-10-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H2,18,20,21)


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