1-[4-({6-Amino-5-[(E)-(Methoxyimino)Methyl]-4-Pyrimidinyl}Oxy)-2-Chlorophenyl]-3-Ethylurea

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Properties Simple | Detailed

Formula C15H17ClN6O3
IUPAC Name 1-[4-[6-amino-5-[(e)-methoxyiminomethyl]pyrimidin-4-yl]oxy-2-chloro-phenyl]-3-ethyl-urea
Molecular Mass 364.787 g·mol−1
Heat of Formation -157.2 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 400.9 Å 3
Surface Area 376.52 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-[6-amino-5-[(e)-methoxyiminomethyl]pyrimidin-4-yl]oxy-2-chloro-phenyl]-3-ethyl-urea
  • 1-[4-[6-amino-5-[(e)-methoxyiminomethyl]pyrimidin-4-yl]oxy-2-chlorophenyl]-3-ethylurea
  • 1-[4-[[6-amino-5-[(e)-methoxyiminomethyl]-4-pyrimidinyl]oxy]-2-chlorophenyl]-3-ethylurea
InChIKey BJHCYTJNPVGSBZ-QPSGOUHRSA-N
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Elements H C N O Cl