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

Systemtic Name: 2-[6-azanyl-9-(phenylmethyl)purin-2-yl]-N-methyl-ethanethioamide Openeye Name: 2-(6-amino-9-benzyl-purin-2-yl)-N-methyl-thioacetamide CAS Name: 2-[6-amino-9-(phenylmethyl)-2-purinyl]-N-methylethanethioamide IUPAC Name: 2-(6-amino-9-benzylpurin-2-yl)-N-methylethanethioamide Traditional Name: 2-(6-amino-9-benzyl-purin-2-yl)-N-methyl-thioacetamide Formula: C15H16N6S MolecularWeight: 312.39274

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)CC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

Isomeric SMILES

CNC(=S)CC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC=C3

InChI

InChI=1S/C15H16N6S/c1-17-12(22)7-11-19-14(16)13-15(20-11)21(9-18-13)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,17,22)(H2,16,19,20)