[4-[[(5-chloranyl-6-ethyl-pyrimidin-4-yl)-ethyl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(5-chloranyl-6-ethyl-pyrimidin-4-yl)-ethyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(5-chloro-6-ethyl-pyrimidin-4-yl)-ethyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(5-chloro-6-ethyl-4-pyrimidinyl)-ethylamino]methyl]phenyl] ester IUPAC Name: [4-[[(5-chloro-6-ethylpyrimidin-4-yl)-ethylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(5-chloro-6-ethyl-pyrimidin-4-yl)-ethyl-amino]methyl]phenyl] ester Formula: C16H20ClN3O3S MolecularWeight: 369.8663

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)N(CC)CC2=CC=C(C=C2)OS(=O)(=O)C)Cl

Isomeric SMILES

CCC1=C(C(=NC=N1)N(CC)CC2=CC=C(C=C2)OS(=O)(=O)C)Cl

InChI

InChI=1S/C16H20ClN3O3S/c1-4-14-15(17)16(19-11-18-14)20(5-2)10-12-6-8-13(9-7-12)23-24(3,21)22/h6-9,11H,4-5,10H2,1-3H3