5-chloranyl-2-(3-cyanopropylsulfanyl)pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-(3-cyanopropylsulfanyl)pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-(3-cyanopropylsulfanyl)pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-(3-cyanopropylthio)-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-(3-cyanopropylsulfanyl)pyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-(3-cyanopropylthio)pyrimidine-4-carboxylic acid Formula: C9H8ClN3O2S MolecularWeight: 257.69672

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=N1)SCCCC#N)C(=O)O)Cl

Isomeric SMILES

C1=C(C(=NC(=N1)SCCCC#N)C(=O)O)Cl

InChI

InChI=1S/C9H8ClN3O2S/c10-6-5-12-9(13-7(6)8(14)15)16-4-2-1-3-11/h5H,1-2,4H2,(H,14,15)