2-[(6-aminopurin-9-yl)methoxy]ethyl sulfamate

Systemtic Name: 2-[(6-aminopurin-9-yl)methoxy]ethyl sulfamate Openeye Name: 2-[(6-aminopurin-9-yl)methoxy]ethyl sulfamate CAS Name: sulfamic acid 2-[(6-aminopurin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(6-aminopurin-9-yl)methoxy]ethyl sulfamate Traditional Name: sulfamic acid 2-(adenin-9-ylmethoxy)ethyl ester Formula: C8H12N6O4S MolecularWeight: 288.28368

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2COCCOS(=O)(=O)N

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2COCCOS(=O)(=O)N

InChI

InChI=1S/C8H12N6O4S/c9-7-6-8(12-3-11-7)14(4-13-6)5-17-1-2-18-19(10,15)16/h3-4H,1-2,5H2,(H2,9,11,12)(H2,10,15,16)