3-pyrimidin-5-ylpropyl 4-methylbenzenesulfonate

Systemtic Name: 3-pyrimidin-5-ylpropyl 4-methylbenzenesulfonate Openeye Name: 3-pyrimidin-5-ylpropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(5-pyrimidinyl)propyl ester IUPAC Name: 3-pyrimidin-5-ylpropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(5-pyrimidyl)propyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CN=CN=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CN=CN=C2

InChI

InChI=1S/C14H16N2O3S/c1-12-4-6-14(7-5-12)20(17,18)19-8-2-3-13-9-15-11-16-10-13/h4-7,9-11H,2-3,8H2,1H3