2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9a44a4f04e164706ba6d3aa33bc620ce.png "2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
721906-17-8
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Formula:
C20H20N6OS2
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Chemical Name:
2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
HMS1722M14;ZINC3260214;AKOS033511821;MCULE-6096623626;Z16587195;5-({[1-(2,4-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;721906-17-8
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CAS No:
2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
424.5 g/mol
424.11400163 g/mol
Computed Properties
Molecular Weight:424.5
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:424.11400163
Monoisotopic Mass:424.11400163
Topological Polar Surface Area:139
Heavy Atom Count:29
Complexity:663
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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