3-methyl-2-oxidanyl-2-pyrimidin-4-yl-piperazine-1-sulfonic acid

Systemtic Name: 3-methyl-2-oxidanyl-2-pyrimidin-4-yl-piperazine-1-sulfonic acid Openeye Name: 2-hydroxy-3-methyl-2-pyrimidin-4-yl-piperazine-1-sulfonic acid CAS Name: 2-hydroxy-3-methyl-2-(4-pyrimidinyl)-1-piperazinesulfonic acid IUPAC Name: 2-hydroxy-3-methyl-2-pyrimidin-4-ylpiperazine-1-sulfonic acid Traditional Name: 2-hydroxy-3-methyl-2-(4-pyrimidyl)piperazine-1-sulfonic acid Formula: C9H14N4O4S MolecularWeight: 274.29686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1)S(=O)(=O)O)(C2=NC=NC=C2)O

Isomeric SMILES

CC1C(N(CCN1)S(=O)(=O)O)(C2=NC=NC=C2)O

InChI

InChI=1S/C9H14N4O4S/c1-7-9(14,8-2-3-10-6-12-8)13(5-4-11-7)18(15,16)17/h2-3,6-7,11,14H,4-5H2,1H3,(H,15,16,17)