2,4-dimethyl-6-[(5-nitrofuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-dimethyl-6-[(5-nitrofuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid Openeye Name: 2,4-dimethyl-6-[(5-nitro-2-furyl)methylsulfanyl]pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-[(5-nitro-2-furanyl)methylthio]-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-[(5-nitrofuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid Traditional Name: 2,4-dimethyl-6-[(5-nitro-2-furyl)methylthio]pyrimidine-5-carboxylic acid Formula: C12H11N3O5S MolecularWeight: 309.29784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=CC=C(O2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=CC=C(O2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H11N3O5S/c1-6-10(12(16)17)11(14-7(2)13-6)21-5-8-3-4-9(20-8)15(18)19/h3-4H,5H2,1-2H3,(H,16,17)