2-butylsulfanyl-9-[(4-methylsulfonylphenyl)methyl]purin-6-amine

Systemtic Name: 2-butylsulfanyl-9-[(4-methylsulfonylphenyl)methyl]purin-6-amine Openeye Name: 2-butylsulfanyl-9-[(4-methylsulfonylphenyl)methyl]purin-6-amine CAS Name: 2-(butylthio)-9-[(4-methylsulfonylphenyl)methyl]-6-purinamine IUPAC Name: 2-butylsulfanyl-9-[(4-methylsulfonylphenyl)methyl]purin-6-amine Traditional Name: [2-(butylthio)-9-(4-mesylbenzyl)purin-6-yl]amine Formula: C17H21N5O2S2 MolecularWeight: 391.51094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H21N5O2S2/c1-3-4-9-25-17-20-15(18)14-16(21-17)22(11-19-14)10-12-5-7-13(8-6-12)26(2,23)24/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,20,21)