2-[6-azanyl-3-(phenylmethyl)purin-8-yl]sulfanylethanol

Systemtic Name: 2-[6-azanyl-3-(phenylmethyl)purin-8-yl]sulfanylethanol Openeye Name: 2-(6-amino-3-benzyl-purin-8-yl)sulfanylethanol CAS Name: 2-[[6-amino-3-(phenylmethyl)-8-purinyl]thio]ethanol IUPAC Name: 2-(6-amino-3-benzylpurin-8-yl)sulfanylethanol Traditional Name: 2-[(6-amino-3-benzyl-purin-8-yl)thio]ethanol Formula: C14H15N5OS MolecularWeight: 301.3668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=C3C2=NC(=N3)SCCO)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=C3C2=NC(=N3)SCCO)N

InChI

InChI=1S/C14H15N5OS/c15-12-11-13(18-14(17-11)21-7-6-20)19(9-16-12)8-10-4-2-1-3-5-10/h1-5,9,20H,6-8,15H2