4-(4-cyanobutylsulfanyl)-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(4-cyanobutylsulfanyl)-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-(4-cyanobutylsulfanyl)-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(4-cyanobutylthio)-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-cyanobutylsulfanyl)-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(4-cyanobutylthio)-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S/c1-9(2)12-16-10(3)11(14(18)19)13(17-12)20-8-6-4-5-7-15/h9H,4-6,8H2,1-3H3,(H,18,19)