4-(3-cyanopropylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(3-cyanopropylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(3-cyanopropylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-(3-cyanopropylthio)-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(3-cyanopropylsulfanyl)-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-(3-cyanopropylthio)-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCCCC#N)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCCCC#N)C(=O)O

InChI

InChI=1S/C11H13N3O2S/c1-7-9(11(15)16)10(14-8(2)13-7)17-6-4-3-5-12/h3-4,6H2,1-2H3,(H,15,16)