3-[6-azanyl-9-(phenylmethyl)purin-2-yl]sulfanylpropane-1-thiol

Systemtic Name: 3-[6-azanyl-9-(phenylmethyl)purin-2-yl]sulfanylpropane-1-thiol Openeye Name: 3-(6-amino-9-benzyl-purin-2-yl)sulfanylpropane-1-thiol CAS Name: 3-[[6-amino-9-(phenylmethyl)-2-purinyl]thio]-1-propanethiol IUPAC Name: 3-(6-amino-9-benzylpurin-2-yl)sulfanylpropane-1-thiol Traditional Name: 3-[(6-amino-9-benzyl-purin-2-yl)thio]propane-1-thiol Formula: C15H17N5S2 MolecularWeight: 331.45898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N)SCCCS

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N)SCCCS

InChI

InChI=1S/C15H17N5S2/c16-13-12-14(19-15(18-13)22-8-4-7-21)20(10-17-12)9-11-5-2-1-3-6-11/h1-3,5-6,10,21H,4,7-9H2,(H2,16,18,19)