Formula |
C16H22N4O4S |
IUPAC Name |
[(z)-3-acetylsulfanyl-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]pent-3-enyl] acetate |
Molecular Mass |
366.435 g·mol−1 |
Heat of Formation |
-658.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.22 ± 1.08 D |
Volume |
427.31 Å 3 |
Surface Area |
310.99 Å 2 |
HOMO Energy |
-8.93 ± 0.55 eV |
LUMO Energy |
-0.66 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (z)-3-acetylthio-4-(n-(4-amino-2-methyl-5-pyrimidinylmethyl)formylamino)-3-pentenyl acetat
- [(z)-3-acetylsulfanyl-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]pent-3-enyl] acetate
- [(z)-3-acetylsulfanyl-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]pent-3-enyl] acetate
- [(z)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-3-ethanoylsulfanyl-pent-3-enyl] ethanoate
- acetic acid [(z)-3-(acetylthio)-4-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]pent-3-enyl] ester
- acetic acid [(z)-3-(acetylthio)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]pent-3-enyl] ester
- acetic acid, thio-, s-ester with n-((4-amino-2-methyl-5-pyrimidinyl)methyl)-n-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide acetate (ester) (8ci)
- dat (van)
- ethanethioic acid, s-(1-(2-(acetyloxy)ethyl)-2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-1-propenyl) ester (9ci)
- n-((4-amino-2-methyl-5-pyrimidinyl)methyl)-n-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide o,s-diacetate
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InChIKey |
ISIPQAHMLLFSFR-GDNBJRDFSA-N |
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Elements |
H
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N
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