6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]pyrimidine-2,4-dione
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![6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]pyrimidine-2,4-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/61c4b77313f24decaa6d95b8c81c36e1.png "6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]pyrimidine-2,4-dione")
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]pyrimidine-2,4-dione
structure -
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CAS No:
744211-56-1
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Formula:
C21H25N5O3S2
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Chemical Name:
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]pyrimidine-2,4-dione
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Synonyms:
SMR000249751;MLS000334993;MLS003913877;CHEMBL1324897;HMS2621G23;ZINC2632143;AKOS033737086;MCULE-9586857943;AB00564251-05;Z20226304;6-amino-3-methyl-1-(2-methylpropyl)-5-(2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraen-3-ylsulfanyl}acetyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione;744211-56-1
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CAS No:
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]pyrimidine-2,4-dione Basic Attributes
459.6 g/mol
459.13988202 g/mol
Computed Properties
Molecular Weight:459.6
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:459.13988202
Monoisotopic Mass:459.13988202
Topological Polar Surface Area:163
Heavy Atom Count:31
Complexity:789
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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