4-(5-methyl-2-oxidanylidene-1H-pyrimidin-6-yl)piperazine-1-sulfonic acid

Systemtic Name: 4-(5-methyl-2-oxidanylidene-1H-pyrimidin-6-yl)piperazine-1-sulfonic acid Openeye Name: 4-(5-methyl-2-oxo-1H-pyrimidin-6-yl)piperazine-1-sulfonic acid CAS Name: 4-(5-methyl-2-oxo-1H-pyrimidin-6-yl)-1-piperazinesulfonic acid IUPAC Name: 4-(5-methyl-2-oxo-1H-pyrimidin-6-yl)piperazine-1-sulfonic acid Traditional Name: 4-(2-keto-5-methyl-1H-pyrimidin-6-yl)piperazine-1-sulfonic acid Formula: C9H14N4O4S MolecularWeight: 274.29686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)N=C1)N2CCN(CC2)S(=O)(=O)O

Isomeric SMILES

CC1=C(NC(=O)N=C1)N2CCN(CC2)S(=O)(=O)O

InChI

InChI=1S/C9H14N4O4S/c1-7-6-10-9(14)11-8(7)12-2-4-13(5-3-12)18(15,16)17/h6H,2-5H2,1H3,(H,10,11,14)(H,15,16,17)