2-[(2-azanylpurin-9-yl)methylsulfanyl]ethyl benzoate

Systemtic Name: 2-[(2-azanylpurin-9-yl)methylsulfanyl]ethyl benzoate Openeye Name: 2-[(2-aminopurin-9-yl)methylsulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[(2-amino-9-purinyl)methylthio]ethyl ester IUPAC Name: 2-[(2-aminopurin-9-yl)methylsulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[(2-aminopurin-9-yl)methylthio]ethyl ester Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCSCN2C=NC3=CN=C(N=C32)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCSCN2C=NC3=CN=C(N=C32)N

InChI

InChI=1S/C15H15N5O2S/c16-15-17-8-12-13(19-15)20(9-18-12)10-23-7-6-22-14(21)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H2,16,17,19)