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

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

Systemtic Name:9-butyl-6-(phenylmethylsulfanyl)purin-2-amine
Openeye Name:6-benzylsulfanyl-9-butyl-purin-2-amine
CAS Name:9-butyl-6-(phenylmethylthio)-2-purinamine
IUPAC Name:6-benzylsulfanyl-9-butylpurin-2-amine
Traditional Name:[6-(benzylthio)-9-butyl-purin-2-yl]amine
Formula: C16H19N5S
MolecularWeight: 313.42056
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3)N


Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3)N


InChI

InChI=1S/C16H19N5S/c1-2-3-9-21-11-18-13-14(21)19-16(17)20-15(13)22-10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H2,17,19,20)


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