[3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)-3-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)-3-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-hydroxy-3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-hydroxy-3-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]propyl] ester IUPAC Name: [3-hydroxy-3-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-hydroxy-3-[5-methyl-1-(2-pyrimidyl)pyrazol-4-yl]propyl] ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C2=C(N(N=C2)C3=NC=CC=N3)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C2=C(N(N=C2)C3=NC=CC=N3)C)O

InChI

InChI=1S/C18H20N4O4S/c1-13-4-6-15(7-5-13)27(24,25)26-11-8-17(23)16-12-21-22(14(16)2)18-19-9-3-10-20-18/h3-7,9-10,12,17,23H,8,11H2,1-2H3