Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate

CAS Registry Number®

126827-26-7
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CAS Name

Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate

Molecular Formula

C14H16N2O2S

Molecular Mass

276.35

Cite this Page

Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126827-26-7 (retrieved 2024-09-10) (CAS RN: 126827-26-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    114-116 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C14H16N2O2S/c1-9-11(13(17)18-3)12(15-14(19)16(9)2)10-7-5-4-6-8-10/h4-8,12H,1-3H3,(H,15,19)

InChIKey

InChIKey=QMUWGPALEWDVLD-UHFFFAOYSA-N

SMILES

C(OC)(=O)C=1C(NC(=S)N(C)C1C)C2=CC=CC=C2

Canonical SMILES

O=C(OC)C1=C(N(C(=S)NC1C=2C=CC=CC2)C)C

Other Names for this Substance

  • 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-, methyl ester
  • Methyl 1,2,3,4-tetrahydro-1,6-dimethyl-4-phenyl-2-thioxo-5-pyrimidinecarboxylate