1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile

CAS Registry Number®

70638-54-9

CAS Name

1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile

Molecular Formula

C12H9N3O2S

Molecular Mass

259.28

Cite this Page

1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70638-54-9 (retrieved 2024-11-25) (CAS RN: 70638-54-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    280-282 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H9N3O2S/c1-17-8-4-2-7(3-5-8)10-9(6-13)11(16)15-12(18)14-10/h2-5H,1H3,(H2,14,15,16,18)

InChIKey

InChIKey=PXEWDUZAXRERFW-UHFFFAOYSA-N

SMILES

C(#N)C1=C(NC(=S)NC1=O)C2=CC=C(OC)C=C2

Canonical SMILES

N#CC=1C(=O)NC(=S)NC1C=2C=CC(OC)=CC2

Other Names for this Substance

  • 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-
  • 1,2,3,4-Tetrahydro-6-(4-methoxyphenyl)-4-oxo-2-thioxo-5-pyrimidinecarbonitrile

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