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

Systemtic Name: N-[2-[6-azanyl-9-(phenylmethyl)purin-2-yl]sulfanylethyl]ethanamide Openeye Name: N-[2-(6-amino-9-benzyl-purin-2-yl)sulfanylethyl]acetamide CAS Name: N-[2-[[6-amino-9-(phenylmethyl)-2-purinyl]thio]ethyl]acetamide IUPAC Name: N-[2-(6-amino-9-benzylpurin-2-yl)sulfanylethyl]acetamide Traditional Name: N-[2-[(6-amino-9-benzyl-purin-2-yl)thio]ethyl]acetamide Formula: C16H18N6OS MolecularWeight: 342.41872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

InChI

InChI=1S/C16H18N6OS/c1-11(23)18-7-8-24-16-20-14(17)13-15(21-16)22(10-19-13)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,18,23)(H2,17,20,21)