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

Systemtic Name: 2-[6-azanyl-9-(phenylmethyl)purin-8-yl]sulfanylethanamide Openeye Name: 2-(6-amino-9-benzyl-purin-8-yl)sulfanylacetamide CAS Name: 2-[[6-amino-9-(phenylmethyl)-8-purinyl]thio]acetamide IUPAC Name: 2-(6-amino-9-benzylpurin-8-yl)sulfanylacetamide Traditional Name: 2-[(6-amino-9-benzyl-purin-8-yl)thio]acetamide Formula: C14H14N6OS MolecularWeight: 314.36556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2SCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2SCC(=O)N

InChI

InChI=1S/C14H14N6OS/c15-10(21)7-22-14-19-11-12(16)17-8-18-13(11)20(14)6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,21)(H2,16,17,18)