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

Systemtic Name: 2-cyclopropyl-4-(3,3-dimethylbutylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-cyclopropyl-4-(3,3-dimethylbutylsulfanyl)-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-cyclopropyl-4-(3,3-dimethylbutylthio)-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-cyclopropyl-4-(3,3-dimethylbutylsulfanyl)-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-cyclopropyl-4-(3,3-dimethylbutylthio)-6-methyl-pyrimidine-5-carboxylic acid Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCCC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCCC(C)(C)C)C(=O)O

InChI

InChI=1S/C15H22N2O2S/c1-9-11(14(18)19)13(20-8-7-15(2,3)4)17-12(16-9)10-5-6-10/h10H,5-8H2,1-4H3,(H,18,19)