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 |
-113.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.41 ± 1.08 D |
Volume |
571.36 Å 3 |
Surface Area |
451.42 Å 2 |
HOMO Energy |
-8.28 ± 0.55 eV |
LUMO Energy |
-1.57 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 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
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InChIKey |
WNJLVFWJWNGWKN-INIZCTEOSA-N |
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Links |
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Elements |
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