4-amino-5-benzyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
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4-amino-5-benzyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
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CAS No:
20865-47-8
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Formula:
C12H11N3O2S
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Chemical Name:
4-amino-5-benzyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
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Synonyms:
6-amino-5-benzyl-2-thioxo-1,2-dihydro-pyrimidine-4-carboxylic acid; 5-Benzyl-2-mercapto-6-amino-4-carboxypyrimidin;
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CAS No:
4-amino-5-benzyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid Basic Attributes
261.30000
261.05719778
154925
DTXSID80405130
Computed Properties
Molecular Weight:261.30
XLogP3:1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:261.05719778
Monoisotopic Mass:261.05719778
Topological Polar Surface Area:120
Heavy Atom Count:18
Complexity:437
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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