2-butan-2-ylsulfanyl-9-(phenylmethyl)purin-6-amine

Systemtic Name: 2-butan-2-ylsulfanyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-sec-butylsulfanyl-purin-6-amine CAS Name: 2-(butan-2-ylthio)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-butan-2-ylsulfanylpurin-6-amine Traditional Name: [9-benzyl-2-(sec-butylthio)purin-6-yl]amine Formula: C16H19N5S MolecularWeight: 313.42056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

Isomeric SMILES

CCC(C)SC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

InChI

InChI=1S/C16H19N5S/c1-3-11(2)22-16-19-14(17)13-15(20-16)21(10-18-13)9-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H2,17,19,20)