6-(2,6-Dichlorophenyl)-8-Methyl-2-{[3-(Methylsulfanyl)Phenyl]Amino}Pyrido[2,3-D]Pyrimidin-7(8H)-One

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Formula C21H17Cl2N4OS
IUPAC Name 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-1,3-diium-4a-id-7-one
Molecular Mass 444.357 g·mol−1
Heat of Formation 149.8 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 483.66 Å 3
Surface Area 409.14 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(2,6-dichloro-phenyl)-8-methyl-2-(3-methylsulfanyl-phenylamino)-8h-pyrido[2,3-d]pyrimidin-7-one
  • 6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfanylphenyl)amino]pyrido[6,5-d]pyrimidin-7-one
  • 6-(2,6-dichlorophenyl)-8-methyl-2-[[3-(methylthio)phenyl]amino]-7-pyrido[6,5-d]pyrimidinone
  • 6-(2,6-dichlorophenyl)-8-methyl-2-[[3-(methylthio)phenyl]amino]pyrido[6,5-d]pyrimidin-7-one
  • p17
  • pd173955
InChIKey VAARYSWULJUGST-UHFFFAOYSA-N
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