1-azanyl-4-oxidanylidene-6-(6-oxidanylidene-3H-purin-9-yl)hexane-3-sulfonic acid

Systemtic Name: 1-azanyl-4-oxidanylidene-6-(6-oxidanylidene-3H-purin-9-yl)hexane-3-sulfonic acid Openeye Name: 1-amino-4-oxo-6-(6-oxo-3H-purin-9-yl)hexane-3-sulfonic acid CAS Name: 1-amino-4-oxo-6-(6-oxo-3H-purin-9-yl)-3-hexanesulfonic acid IUPAC Name: 1-amino-4-oxo-6-(6-oxo-3H-purin-9-yl)hexane-3-sulfonic acid Traditional Name: 1-amino-4-keto-6-(6-keto-3H-purin-9-yl)hexane-3-sulfonic acid Formula: C11H15N5O5S MolecularWeight: 329.3323

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)CCC(=O)C(CCN)S(=O)(=O)O

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)CCC(=O)C(CCN)S(=O)(=O)O

InChI

InChI=1S/C11H15N5O5S/c12-3-1-8(22(19,20)21)7(17)2-4-16-6-15-9-10(16)13-5-14-11(9)18/h5-6,8H,1-4,12H2,(H,13,14,18)(H,19,20,21)