N-[(2S)-5-[(Diaminomethylene)Amino]-1-Oxo-1-(1,3-Thiazol-2-Yl)-2-Pentanyl]-2-[2-(3,4-Dichlorophenyl)-5-(Isopropylamino)-6-Oxo-1(6H)-Pyrimidinyl]Acetamide

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Properties Simple | Detailed

Formula C24H28Cl2N8O3S+
IUPAC Name 2-[2-(3,4-dichlorophenyl)-5-(isopropylamino)-6-oxo-pyrimidin-1-yl]-n-[(1s)-4-guanidino-1-(thiazol-1-ium-3-ide-2-carbonyl)butyl]acetamide
Molecular Mass 579.502 g·mol−1
Heat of Formation -214.8 ± 16.7 kJ·mol−1
Dipole Moment 5.46 ± 1.08 D
Volume 646.21 Å 3
Surface Area 509.9 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-(3,4-dichlorophenyl)-5-(isopropylamino)-6-oxopyrimidin-1(6h)-yl)-n-((s)-1-oxo-1-(thiazol-2-yl)-5-guanidinopentan-2-yl)acetamide
  • 2-[2-(3,4-dichlorophenyl)-5-(isopropylamino)-6-keto-pyrimidin-1-yl]-n-[(1s)-4-guanidino-1-(thiazole-2-carbonyl)butyl]acetamide
  • 2-[2-(3,4-dichlorophenyl)-5-(isopropylamino)-6-oxo-1-pyrimidinyl]-n-[(1s)-4-guanidino-1-[oxo-(2-thiazolyl)methyl]butyl]acetamide
  • 2-[2-(3,4-dichlorophenyl)-5-(isopropylamino)-6-oxo-pyrimidin-1-yl]-n-[(1s)-4-guanidino-1-(thiazole-2-carbonyl)butyl]acetamide
  • n-[(2s)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-(3,4-dichlorophenyl)-6-oxo-5-(propan-2-ylamino)pyrimidin-1-yl]ethanamide
InChIKey LJLKTQRJOBRXIB-KRWDZBQOSA-N
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