2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
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![2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/41c45709f8db48c6a19f01f2633a7ce3.png "2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid")
2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
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CAS No:
796084-01-0
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Formula:
C24H25N5O3S2
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Chemical Name:
2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
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Synonyms:
SMR000368633;MLS000760207;MLS003912227;CHEMBL1337277;HMS2754N24;ZINC3342514;AKOS033719177;MCULE-6282638887;AB00729841-01;Z19915196;2-({[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid;796084-01-0
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CAS No:
2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Basic Attributes
495.6 g/mol
495.13988202 g/mol
Computed Properties
Molecular Weight:495.6
XLogP3:5.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:495.13988202
Monoisotopic Mass:495.13988202
Topological Polar Surface Area:163
Heavy Atom Count:34
Complexity:824
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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