4-[(4R)-5-(diethylcarbamoyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate

Systemtic Name: 4-[(4R)-5-(diethylcarbamoyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4R)-5-(diethylcarbamoyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4R)-5-[diethylamino(oxo)methyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4R)-5-(diethylcarbamoyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4R)-5-(diethylcarbamoyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C16H19N4O4S- MolecularWeight: 363.41146

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)C(=O)C1=C(NC(=S)N[C@@H]1C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C16H20N4O4S/c1-4-19(5-2)15(22)13-9(3)17-16(25)18-14(13)10-6-7-12(21)11(8-10)20(23)24/h6-8,14,21H,4-5H2,1-3H3,(H2,17,18,25)/p-1/t14-/m1/s1