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9-butyl-6-[(4-chlorophenyl)methylsulfanyl]purin-2-amine

9-butyl-6-[(4-chlorophenyl)methylsulfanyl]purin-2-amine

Systemtic Name:9-butyl-6-[(4-chlorophenyl)methylsulfanyl]purin-2-amine
Openeye Name:9-butyl-6-[(4-chlorophenyl)methylsulfanyl]purin-2-amine
CAS Name:9-butyl-6-[(4-chlorophenyl)methylthio]-2-purinamine
IUPAC Name:9-butyl-6-[(4-chlorophenyl)methylsulfanyl]purin-2-amine
Traditional Name:[9-butyl-6-[(4-chlorobenzyl)thio]purin-2-yl]amine
Formula: C16H18ClN5S
MolecularWeight: 347.86562
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H18ClN5S/c1-2-3-8-22-10-19-13-14(22)20-16(18)21-15(13)23-9-11-4-6-12(17)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H2,18,20,21)


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