| Formula |
C19H21N5O3S |
| IUPAC Name |
5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methylimidazol-1-ium-5-ylium-4-yl)methylsulfanyl]ethylamino]pyrimidin-4-one |
| Molecular Mass |
399.467 g·mol−1 |
| Heat of Formation |
-206.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.06 ± 1.08 D |
| Volume |
463.7 Å 3 |
| Surface Area |
341.23 Å 2 |
| HOMO Energy |
-8.71 ± 0.55 eV |
| LUMO Energy |
-0.44 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-(2-(5-methyl-4-imidazolylmethylthio)ethyl)amino-5-piperonyl-4-(1h)-pyrimidinon
- 4(1h)-pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1h-imidazol-4-yl)methyl)thio)ethyl)amino)-
- 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1h-imidazol-4-yl)methylsulfanyl]ethylamino]-3h-pyrimidin-4-one
- 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1h-imidazol-4-yl)methylthio]ethylamino]-3h-pyrimidin-4-one
- oxmetidine
- skf 92994
|
| InChIKey |
YTBDPHYVGACIPC-UHFFFAOYSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
S
C
O
N
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