8-butylsulfanyl-3-(phenylmethyl)purin-6-amine

Systemtic Name: 8-butylsulfanyl-3-(phenylmethyl)purin-6-amine Openeye Name: 3-benzyl-8-butylsulfanyl-purin-6-amine CAS Name: 8-(butylthio)-3-(phenylmethyl)-6-purinamine IUPAC Name: 3-benzyl-8-butylsulfanylpurin-6-amine Traditional Name: [3-benzyl-8-(butylthio)purin-6-yl]amine Formula: C16H19N5S MolecularWeight: 313.42056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N=CN(C2=N1)CC3=CC=CC=C3)N

Isomeric SMILES

CCCCSC1=NC2=C(N=CN(C2=N1)CC3=CC=CC=C3)N

InChI

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