4-[(5-bromanylthiophen-3-yl)methylsulfanyl]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(5-bromanylthiophen-3-yl)methylsulfanyl]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(5-bromo-3-thienyl)methylsulfanyl]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(5-bromo-3-thiophenyl)methylthio]-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(5-bromothiophen-3-yl)methylsulfanyl]-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(5-bromo-3-thienyl)methylthio]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H13BrN2O2S2 MolecularWeight: 385.29922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC3=CSC(=C3)Br)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC3=CSC(=C3)Br)C(=O)O

InChI

InChI=1S/C14H13BrN2O2S2/c1-7-11(14(18)19)13(17-12(16-7)9-2-3-9)21-6-8-4-10(15)20-5-8/h4-5,9H,2-3,6H2,1H3,(H,18,19)