2-(1-methoxyethyl)-2-pyrimidin-4-yl-piperazine-1-sulfonic acid

Systemtic Name: 2-(1-methoxyethyl)-2-pyrimidin-4-yl-piperazine-1-sulfonic acid Openeye Name: 2-(1-methoxyethyl)-2-pyrimidin-4-yl-piperazine-1-sulfonic acid CAS Name: 2-(1-methoxyethyl)-2-(4-pyrimidinyl)-1-piperazinesulfonic acid IUPAC Name: 2-(1-methoxyethyl)-2-pyrimidin-4-ylpiperazine-1-sulfonic acid Traditional Name: 2-(1-methoxyethyl)-2-(4-pyrimidyl)piperazine-1-sulfonic acid Formula: C11H18N4O4S MolecularWeight: 302.35002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CNCCN1S(=O)(=O)O)C2=NC=NC=C2)OC

Isomeric SMILES

CC(C1(CNCCN1S(=O)(=O)O)C2=NC=NC=C2)OC

InChI

InChI=1S/C11H18N4O4S/c1-9(19-2)11(10-3-4-13-8-14-10)7-12-5-6-15(11)20(16,17)18/h3-4,8-9,12H,5-7H2,1-2H3,(H,16,17,18)