3-(6-azanyl-9H-purin-7-ium-7-yl)propane-1-sulfonate

Systemtic Name: 3-(6-azanyl-9H-purin-7-ium-7-yl)propane-1-sulfonate Openeye Name: 3-(6-amino-9H-purin-7-ium-7-yl)propane-1-sulfonate CAS Name: 3-(6-amino-9H-purin-7-ium-7-yl)-1-propanesulfonate IUPAC Name: 3-(6-amino-9H-purin-7-ium-7-yl)propane-1-sulfonate Traditional Name: 3-(6-amino-9H-purin-7-ium-7-yl)propane-1-sulfonate Formula: C8H11N5O3S MolecularWeight: 257.26964

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Descriptors Computed from Structure

Canonical SMILES:

C1=[N+](C2=C(N1)N=CN=C2N)CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=[N+](C2=C(N1)N=CN=C2N)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C8H11N5O3S/c9-7-6-8(11-4-10-7)12-5-13(6)2-1-3-17(14,15)16/h4-5H,1-3H2,(H3,9,10,11,14,15,16)