5-butylsulfanyl-N-(furan-2-ylmethyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
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![5-butylsulfanyl-N-(furan-2-ylmethyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/30a3cb132b7e4682aa1089b7ce01b973.png "5-butylsulfanyl-N-(furan-2-ylmethyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine")
5-butylsulfanyl-N-(furan-2-ylmethyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
structure -
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CAS No:
847176-01-6
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Formula:
C20H25N3O2S2
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Chemical Name:
5-butylsulfanyl-N-(furan-2-ylmethyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
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Synonyms:
SMR000148847;MLS000558131;CHEMBL1579212;HMS2412D10;ZINC2378045;STL345029;AKOS022106255;MCULE-9230186254;(2-Butylsulfanyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)-furan-2-ylmeth yl-amine;2-(butylsulfanyl)-N-(furan-2-ylmethyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine;847176-01-6
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CAS No:
5-butylsulfanyl-N-(furan-2-ylmethyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine Basic Attributes
403.6 g/mol
403.13881940 g/mol
Computed Properties
Molecular Weight:403.6
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:403.13881940
Monoisotopic Mass:403.13881940
Topological Polar Surface Area:114
Heavy Atom Count:27
Complexity:496
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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