3-[4-[[(5-ethylpyrimidin-2-yl)-methyl-amino]methyl]cyclohexyl]prop-2-ynyl methanesulfonate

Systemtic Name: 3-[4-[[(5-ethylpyrimidin-2-yl)-methyl-amino]methyl]cyclohexyl]prop-2-ynyl methanesulfonate Openeye Name: 3-[4-[[(5-ethylpyrimidin-2-yl)-methyl-amino]methyl]cyclohexyl]prop-2-ynyl methanesulfonate CAS Name: methanesulfonic acid 3-[4-[[(5-ethyl-2-pyrimidinyl)-methylamino]methyl]cyclohexyl]prop-2-ynyl ester IUPAC Name: 3-[4-[[(5-ethylpyrimidin-2-yl)-methylamino]methyl]cyclohexyl]prop-2-ynyl methanesulfonate Traditional Name: methanesulfonic acid 3-[4-[[(5-ethylpyrimidin-2-yl)-methyl-amino]methyl]cyclohexyl]prop-2-ynyl ester Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N(C)CC2CCC(CC2)C#CCOS(=O)(=O)C

Isomeric SMILES

CCC1=CN=C(N=C1)N(C)CC2CCC(CC2)C#CCOS(=O)(=O)C

InChI

InChI=1S/C18H27N3O3S/c1-4-15-12-19-18(20-13-15)21(2)14-17-9-7-16(8-10-17)6-5-11-24-25(3,22)23/h12-13,16-17H,4,7-11,14H2,1-3H3