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4-(cycloheptylamino)-2-methylsulfanyl-pyrimidine-5-carboxylic acid

4-(cycloheptylamino)-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name:4-(cycloheptylamino)-2-methylsulfanyl-pyrimidine-5-carboxylic acid
Openeye Name:4-(cycloheptylamino)-2-methylsulfanyl-pyrimidine-5-carboxylic acid
CAS Name:4-(cycloheptylamino)-2-(methylthio)-5-pyrimidinecarboxylic acid
IUPAC Name:4-(cycloheptylamino)-2-methylsulfanylpyrimidine-5-carboxylic acid
Traditional Name:4-(cycloheptylamino)-2-(methylthio)pyrimidine-5-carboxylic acid
Formula: C13H19N3O2S
MolecularWeight: 281.37386
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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NC2CCCCCC2)C(=O)O


Isomeric SMILES

CSC1=NC=C(C(=N1)NC2CCCCCC2)C(=O)O


InChI

InChI=1S/C13H19N3O2S/c1-19-13-14-8-10(12(17)18)11(16-13)15-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,17,18)(H,14,15,16)


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