2-butylsulfanyl-9-[(5-chloranyl-1-benzothiophen-3-yl)methyl]purin-6-amine

Systemtic Name: 2-butylsulfanyl-9-[(5-chloranyl-1-benzothiophen-3-yl)methyl]purin-6-amine Openeye Name: 2-butylsulfanyl-9-[(5-chlorobenzothiophen-3-yl)methyl]purin-6-amine CAS Name: 2-(butylthio)-9-[(5-chloro-1-benzothiophen-3-yl)methyl]-6-purinamine IUPAC Name: 2-butylsulfanyl-9-[(5-chloro-1-benzothiophen-3-yl)methyl]purin-6-amine Traditional Name: [2-(butylthio)-9-[(5-chlorobenzothiophen-3-yl)methyl]purin-6-yl]amine Formula: C18H18ClN5S2 MolecularWeight: 403.95202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CSC4=C3C=C(C=C4)Cl

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C18H18ClN5S2/c1-2-3-6-25-18-22-16(20)15-17(23-18)24(10-21-15)8-11-9-26-14-5-4-12(19)7-13(11)14/h4-5,7,9-10H,2-3,6,8H2,1H3,(H2,20,22,23)