4-(3-cyanopropylsulfanyl)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(3-cyanopropylsulfanyl)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(3-cyanopropylsulfanyl)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(3-cyanopropylthio)-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(3-cyanopropylsulfanyl)-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(3-cyanopropylthio)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCCCC#N)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCCCC#N)C(=O)O

InChI

InChI=1S/C13H15N3O2S/c1-8-10(13(17)18)12(19-7-3-2-6-14)16-11(15-8)9-4-5-9/h9H,2-5,7H2,1H3,(H,17,18)