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

Molecule SVG Image

Properties Simple | Detailed

Formula C22H26N8O3S+
IUPAC Name 2-[5-amino-2-(m-tolyl)-6-oxo-pyrimidin-1-yl]-n-[(1s)-4-guanidino-1-(thiazol-1-ium-3-ide-2-carbonyl)butyl]acetamide
Molecular Mass 482.559 g·mol−1
Heat of Formation -115.1 ± 16.7 kJ·mol−1
Dipole Moment 6.68 ± 1.08 D
Volume 565.36 Å 3
Surface Area 447.06 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(5-amino-6-oxo-2-m-tolyl-6h-pyrimidin-1-yl)-n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide
  • 2-[5-amino-2-(3-methylphenyl)-6-oxo-1-pyrimidinyl]-n-[(1s)-4-guanidino-1-[oxo-(2-thiazolyl)methyl]butyl]acetamide
  • 2-[5-amino-2-(3-methylphenyl)-6-oxo-pyrimidin-1-yl]-n-[(1s)-4-guanidino-1-(thiazole-2-carbonyl)butyl]acetamide
  • 2-[5-amino-2-(3-methylphenyl)-6-oxo-pyrimidin-1-yl]-n-[(2s)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]ethanamide
  • 2-[5-amino-6-keto-2-(3-methylphenyl)pyrimidin-1-yl]-n-[(1s)-4-guanidino-1-(thiazole-2-carbonyl)butyl]acetamide
  • n-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-2-{6-oxo-5-[(quinolin-8-ylmethyl)-amino]-2-m-tolyl-6h-pyrimidin-1-yl}-acetamide
InChIKey WNJLVFWJWNGWKN-INIZCTEOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N