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

Systemtic Name: 2-[(2-azanylpurin-9-yl)methylsulfanyl]ethyl ethanoate Openeye Name: 2-[(2-aminopurin-9-yl)methylsulfanyl]ethyl acetate CAS Name: acetic acid 2-[(2-amino-9-purinyl)methylthio]ethyl ester IUPAC Name: 2-[(2-aminopurin-9-yl)methylsulfanyl]ethyl acetate Traditional Name: acetic acid 2-[(2-aminopurin-9-yl)methylthio]ethyl ester Formula: C10H13N5O2S MolecularWeight: 267.30752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSCN1C=NC2=CN=C(N=C21)N

Isomeric SMILES

CC(=O)OCCSCN1C=NC2=CN=C(N=C21)N

InChI

InChI=1S/C10H13N5O2S/c1-7(16)17-2-3-18-6-15-5-13-8-4-12-10(11)14-9(8)15/h4-5H,2-3,6H2,1H3,(H2,11,12,14)