[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethanoylamino]methanesulfonic acid

Systemtic Name: [2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethanoylamino]methanesulfonic acid Openeye Name: [[2-(2-amino-6-oxo-3H-purin-9-yl)acetyl]amino]methanesulfonic acid CAS Name: [[2-(2-amino-6-oxo-3H-purin-9-yl)-1-oxoethyl]amino]methanesulfonic acid IUPAC Name: [[2-(2-amino-6-oxo-3H-purin-9-yl)acetyl]amino]methanesulfonic acid Traditional Name: [[2-(2-amino-6-keto-3H-purin-9-yl)acetyl]amino]methanesulfonic acid Formula: C8H10N6O5S MolecularWeight: 302.2672

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(=O)NCS(=O)(=O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CC(=O)NCS(=O)(=O)O)NC(=NC2=O)N

InChI

InChI=1S/C8H10N6O5S/c9-8-12-6-5(7(16)13-8)10-2-14(6)1-4(15)11-3-20(17,18)19/h2H,1,3H2,(H,11,15)(H,17,18,19)(H3,9,12,13,16)