2-butylsulfanyl-9-[(3-methylphenyl)methyl]purin-6-amine

Systemtic Name: 2-butylsulfanyl-9-[(3-methylphenyl)methyl]purin-6-amine Openeye Name: 2-butylsulfanyl-9-(m-tolylmethyl)purin-6-amine CAS Name: 2-(butylthio)-9-[(3-methylphenyl)methyl]-6-purinamine IUPAC Name: 2-butylsulfanyl-9-[(3-methylphenyl)methyl]purin-6-amine Traditional Name: [2-(butylthio)-9-(3-methylbenzyl)purin-6-yl]amine Formula: C17H21N5S MolecularWeight: 327.44714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5S/c1-3-4-8-23-17-20-15(18)14-16(21-17)22(11-19-14)10-13-7-5-6-12(2)9-13/h5-7,9,11H,3-4,8,10H2,1-2H3,(H2,18,20,21)