3-[[[5-Cyano-1,6-dihydro-6-oxo-4-(2-thienyl)-2-pyrimidinyl]thio]methyl]benzeneacetic acid
CAS Registry Number®
1883602-21-8
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CAS Name
3-[[[5-Cyano-1,6-dihydro-6-oxo-4-(2-thienyl)-2-pyrimidinyl]thio]methyl]benzeneacetic acidMolecular Formula
C18H13N3O3S2Molecular Mass
383.44Cite this Page
3-[[[5-Cyano-1,6-dihydro-6-oxo-4-(2-thienyl)-2-pyrimidinyl]thio]methyl]benzeneacetic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1883602-21-8 (retrieved ) (CAS RN: 1883602-21-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
237-239 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C18H13N3O3S2/c19-9-13-16(14-5-2-6-25-14)20-18(21-17(13)24)26-10-12-4-1-3-11(7-12)8-15(22)23/h1-7H,8,10H2,(H,22,23)(H,20,21,24)
InChIKey
InChIKey=RJQYGCGMQYVVIB-UHFFFAOYSA-N
SMILES
C(#N)C1=C(NC(SCC2=CC(CC(O)=O)=CC=C2)=NC1=O)C3=CC=CS3
Canonical SMILES
N#CC=1C(=O)N=C(SCC2=CC=CC(=C2)CC(=O)O)NC1C=3SC=CC3
Other Names for this Substance
- Benzeneacetic acid, 3-[[[5-cyano-1,6-dihydro-6-oxo-4-(2-thienyl)-2-pyrimidinyl]thio]methyl]-
- 3-[[[5-Cyano-1,6-dihydro-6-oxo-4-(2-thienyl)-2-pyrimidinyl]thio]methyl]benzeneacetic acid