3-(4-oxidanylidene-1H-pyrimidin-6-yl)propane-1-sulfonic acid

Systemtic Name: 3-(4-oxidanylidene-1H-pyrimidin-6-yl)propane-1-sulfonic acid Openeye Name: 3-(4-oxo-1H-pyrimidin-6-yl)propane-1-sulfonic acid CAS Name: 3-(4-oxo-1H-pyrimidin-6-yl)-1-propanesulfonic acid IUPAC Name: 3-(4-oxo-1H-pyrimidin-6-yl)propane-1-sulfonic acid Traditional Name: 3-(4-keto-1H-pyrimidin-6-yl)propane-1-sulfonic acid Formula: C7H10N2O4S MolecularWeight: 218.2303

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=NC1=O)CCCS(=O)(=O)O

Isomeric SMILES

C1=C(NC=NC1=O)CCCS(=O)(=O)O

InChI

InChI=1S/C7H10N2O4S/c10-7-4-6(8-5-9-7)2-1-3-14(11,12)13/h4-5H,1-3H2,(H,8,9,10)(H,11,12,13)