2-[6-azanyl-9-(phenylmethyl)purin-8-yl]sulfanylethanol

Systemtic Name: 2-[6-azanyl-9-(phenylmethyl)purin-8-yl]sulfanylethanol Openeye Name: 2-(6-amino-9-benzyl-purin-8-yl)sulfanylethanol CAS Name: 2-[[6-amino-9-(phenylmethyl)-8-purinyl]thio]ethanol IUPAC Name: 2-(6-amino-9-benzylpurin-8-yl)sulfanylethanol Traditional Name: 2-[(6-amino-9-benzyl-purin-8-yl)thio]ethanol Formula: C14H15N5OS MolecularWeight: 301.3668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2SCCO

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2SCCO

InChI

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