2-[6-azanyl-9-(phenylmethyl)purin-2-yl]sulfanyl-N-methyl-ethanamide

Systemtic Name: 2-[6-azanyl-9-(phenylmethyl)purin-2-yl]sulfanyl-N-methyl-ethanamide Openeye Name: 2-(6-amino-9-benzyl-purin-2-yl)sulfanyl-N-methyl-acetamide CAS Name: 2-[[6-amino-9-(phenylmethyl)-2-purinyl]thio]-N-methylacetamide IUPAC Name: 2-(6-amino-9-benzylpurin-2-yl)sulfanyl-N-methylacetamide Traditional Name: 2-[(6-amino-9-benzyl-purin-2-yl)thio]-N-methyl-acetamide Formula: C15H16N6OS MolecularWeight: 328.39214

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

Isomeric SMILES

CNC(=O)CSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

InChI

InChI=1S/C15H16N6OS/c1-17-11(22)8-23-15-19-13(16)12-14(20-15)21(9-18-12)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,17,22)(H2,16,19,20)