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

Systemtic Name: 4-[(5-bromanylfuran-2-yl)methylsulfanyl]-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(5-bromo-2-furyl)methylsulfanyl]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(5-bromo-2-furanyl)methylthio]-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(5-bromofuran-2-yl)methylsulfanyl]-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-[(5-bromo-2-furyl)methylthio]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H15BrN2O3S MolecularWeight: 371.2495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)C)SCC2=CC=C(O2)Br)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)C)SCC2=CC=C(O2)Br)C(=O)O

InChI

InChI=1S/C14H15BrN2O3S/c1-7(2)12-16-8(3)11(14(18)19)13(17-12)21-6-9-4-5-10(15)20-9/h4-5,7H,6H2,1-3H3,(H,18,19)