4-oxidanylidene-6-propyl-2,3-dihydro-1H-pyrimidine-2-sulfonic acid

Systemtic Name: 4-oxidanylidene-6-propyl-2,3-dihydro-1H-pyrimidine-2-sulfonic acid Openeye Name: 4-oxo-6-propyl-2,3-dihydro-1H-pyrimidine-2-sulfonic acid CAS Name: 4-oxo-6-propyl-2,3-dihydro-1H-pyrimidine-2-sulfonic acid IUPAC Name: 4-oxo-6-propyl-2,3-dihydro-1H-pyrimidine-2-sulfonic acid Traditional Name: 4-keto-6-propyl-2,3-dihydro-1H-pyrimidine-2-sulfonic acid Formula: C7H12N2O4S MolecularWeight: 220.24618

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)NC(N1)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC(=O)NC(N1)S(=O)(=O)O

InChI

InChI=1S/C7H12N2O4S/c1-2-3-5-4-6(10)9-7(8-5)14(11,12)13/h4,7-8H,2-3H2,1H3,(H,9,10)(H,11,12,13)