3-[4-[[(5-bromanylpyrimidin-2-yl)amino]methyl]cyclohexyl]prop-2-yne-1-sulfonic acid

Systemtic Name: 3-[4-[[(5-bromanylpyrimidin-2-yl)amino]methyl]cyclohexyl]prop-2-yne-1-sulfonic acid Openeye Name: 3-[4-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclohexyl]prop-2-yne-1-sulfonic acid CAS Name: 3-[4-[[(5-bromo-2-pyrimidinyl)amino]methyl]cyclohexyl]-2-propyne-1-sulfonic acid IUPAC Name: 3-[4-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclohexyl]prop-2-yne-1-sulfonic acid Traditional Name: 3-[4-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclohexyl]prop-2-yne-1-sulfonic acid Formula: C14H18BrN3O3S MolecularWeight: 388.28002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=NC=C(C=N2)Br)C#CCS(=O)(=O)O

Isomeric SMILES

C1CC(CCC1CNC2=NC=C(C=N2)Br)C#CCS(=O)(=O)O

InChI

InChI=1S/C14H18BrN3O3S/c15-13-9-17-14(18-10-13)16-8-12-5-3-11(4-6-12)2-1-7-22(19,20)21/h9-12H,3-8H2,(H,16,17,18)(H,19,20,21)