2-[[5-(4-fluorophenyl)-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-fluorophenyl)-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/20220812/77f733a1265340589828d432a303b41c.png "2-[[5-(4-fluorophenyl)-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-fluorophenyl)-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 -
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CAS No:
794573-39-0
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Formula:
C20H16FN5O3S2
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Chemical Name:
2-[[5-(4-fluorophenyl)-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:
SMR000243643;MLS000409277;MLS002635327;CHEMBL1563436;HMS2620B11;ZINC3325194;AKOS033733100;MCULE-2669506291;AB00729463-01;Z20143106;2-({[5-(4-fluorophenyl)-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;794573-39-0
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CAS No:
2-[[5-(4-fluorophenyl)-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
457.5 g/mol
457.06785990 g/mol
Computed Properties
Molecular Weight:457.5
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:457.06785990
Monoisotopic Mass:457.06785990
Topological Polar Surface Area:163
Heavy Atom Count:31
Complexity:748
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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