2-butylsulfanyl-9-(phenylmethyl)purin-6-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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