4-[(5-bromanylfuran-2-yl)methylsulfanyl]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(5-bromanylfuran-2-yl)methylsulfanyl]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(5-bromo-2-furyl)methylsulfanyl]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(5-bromo-2-furanyl)methylthio]-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(5-bromofuran-2-yl)methylsulfanyl]-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(5-bromo-2-furyl)methylthio]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H13BrN2O3S MolecularWeight: 369.23362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC3=CC=C(O3)Br)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC3=CC=C(O3)Br)C(=O)O

InChI

InChI=1S/C14H13BrN2O3S/c1-7-11(14(18)19)13(17-12(16-7)8-2-3-8)21-6-9-4-5-10(15)20-9/h4-5,8H,2-3,6H2,1H3,(H,18,19)