2-(6-azanyl-9-phenethyl-purin-8-yl)sulfanylbutanoic acid

Systemtic Name: 2-(6-azanyl-9-phenethyl-purin-8-yl)sulfanylbutanoic acid Openeye Name: 2-(6-amino-9-phenethyl-purin-8-yl)sulfanylbutanoic acid CAS Name: 2-[(6-amino-9-phenethyl-8-purinyl)thio]butanoic acid IUPAC Name: 2-(6-amino-9-phenethylpurin-8-yl)sulfanylbutanoic acid Traditional Name: 2-[(6-amino-9-phenethyl-purin-8-yl)thio]butyric acid Formula: C17H19N5O2S MolecularWeight: 357.43006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC2=C(N1CCC3=CC=CC=C3)N=CN=C2N

Isomeric SMILES

CCC(C(=O)O)SC1=NC2=C(N1CCC3=CC=CC=C3)N=CN=C2N

InChI

InChI=1S/C17H19N5O2S/c1-2-12(16(23)24)25-17-21-13-14(18)19-10-20-15(13)22(17)9-8-11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3,(H,23,24)(H2,18,19,20)