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

Systemtic Name: 9-butyl-6-[(2,4-dichlorophenyl)methylsulfanyl]purin-2-amine Openeye Name: 9-butyl-6-[(2,4-dichlorophenyl)methylsulfanyl]purin-2-amine CAS Name: 9-butyl-6-[(2,4-dichlorophenyl)methylthio]-2-purinamine IUPAC Name: 9-butyl-6-[(2,4-dichlorophenyl)methylsulfanyl]purin-2-amine Traditional Name: [9-butyl-6-[(2,4-dichlorobenzyl)thio]purin-2-yl]amine Formula: C16H17Cl2N5S MolecularWeight: 382.31068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17Cl2N5S/c1-2-3-6-23-9-20-13-14(23)21-16(19)22-15(13)24-8-10-4-5-11(17)7-12(10)18/h4-5,7,9H,2-3,6,8H2,1H3,(H2,19,21,22)