9-[[2,6-bis(chloranyl)phenyl]methyl]-2-butylsulfanyl-purin-6-amine

Systemtic Name: 9-[[2,6-bis(chloranyl)phenyl]methyl]-2-butylsulfanyl-purin-6-amine Openeye Name: 2-butylsulfanyl-9-[(2,6-dichlorophenyl)methyl]purin-6-amine CAS Name: 2-(butylthio)-9-[(2,6-dichlorophenyl)methyl]-6-purinamine IUPAC Name: 2-butylsulfanyl-9-[(2,6-dichlorophenyl)methyl]purin-6-amine Traditional Name: [2-(butylthio)-9-(2,6-dichlorobenzyl)purin-6-yl]amine Formula: C16H17Cl2N5S MolecularWeight: 382.31068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=C(C=CC=C3Cl)Cl

InChI

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