[3-[(6-methylpyrimidin-4-yl)amino]phenyl] butane-1-sulfonate

Systemtic Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] butane-1-sulfonate Openeye Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [3-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=CC(=C1)NC2=NC=NC(=C2)C

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=CC(=C1)NC2=NC=NC(=C2)C

InChI

InChI=1S/C15H19N3O3S/c1-3-4-8-22(19,20)21-14-7-5-6-13(10-14)18-15-9-12(2)16-11-17-15/h5-7,9-11H,3-4,8H2,1-2H3,(H,16,17,18)