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

Systemtic Name: 9-butyl-6-[(2-chlorophenyl)methylsulfanyl]purin-2-amine Openeye Name: 9-butyl-6-[(2-chlorophenyl)methylsulfanyl]purin-2-amine CAS Name: 9-butyl-6-[(2-chlorophenyl)methylthio]-2-purinamine IUPAC Name: 9-butyl-6-[(2-chlorophenyl)methylsulfanyl]purin-2-amine Traditional Name: [9-butyl-6-[(2-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=CC=C3Cl)N

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3Cl)N

InChI

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