5,6-dimethyl-2-[[2-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one
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![5,6-dimethyl-2-[[2-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ef88c850149d4c5db5a9f0117852994a.png "5,6-dimethyl-2-[[2-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one")
5,6-dimethyl-2-[[2-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one
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CAS No:
796066-99-4
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Formula:
C25H29N5OS3
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Chemical Name:
5,6-dimethyl-2-[[2-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one
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Synonyms:
ZINC3338555;AKOS034153154;MCULE-9923656579;AB00981082-01;Z31162046;5,6-dimethyl-2-[({5-[(piperidin-1-yl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraen-3-yl}sulfanyl)methyl]-3H,4H-thieno[2,3-d]pyrimidin-4-one;796066-99-4
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CAS No:
5,6-dimethyl-2-[[2-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Basic Attributes
511.7 g/mol
511.15342409 g/mol
Computed Properties
Molecular Weight:511.7
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:511.15342409
Monoisotopic Mass:511.15342409
Topological Polar Surface Area:152
Heavy Atom Count:34
Complexity:793
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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