2-[6-(methylamino)-2-methylsulfanyl-purin-9-yl]ethyl benzoate

Systemtic Name: 2-[6-(methylamino)-2-methylsulfanyl-purin-9-yl]ethyl benzoate Openeye Name: 2-[6-(methylamino)-2-methylsulfanyl-purin-9-yl]ethyl benzoate CAS Name: benzoic acid 2-[6-(methylamino)-2-(methylthio)-9-purinyl]ethyl ester IUPAC Name: 2-[6-(methylamino)-2-methylsulfanylpurin-9-yl]ethyl benzoate Traditional Name: benzoic acid 2-[6-(methylamino)-2-(methylthio)purin-9-yl]ethyl ester Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2CCOC(=O)C3=CC=CC=C3)SC

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2CCOC(=O)C3=CC=CC=C3)SC

InChI

InChI=1S/C16H17N5O2S/c1-17-13-12-14(20-16(19-13)24-2)21(10-18-12)8-9-23-15(22)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,17,19,20)