ethyl 4-methyl-6-(5-nitrofuran-2-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-(5-nitrofuran-2-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-(5-nitro-2-furyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(5-nitro-2-furanyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-(5-nitrofuran-2-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(5-nitro-2-furyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5S/c1-3-19-11(16)9-6(2)13-12(21)14-10(9)7-4-5-8(20-7)15(17)18/h4-6H,3H2,1-2H3,(H2,13,14,21)