1,3-diethyl-N-[1-(4-nitrophenyl)ethyl]-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidine-5-carboxamide

Systemtic Name: 1,3-diethyl-N-[1-(4-nitrophenyl)ethyl]-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidine-5-carboxamide Openeye Name: 1,3-diethyl-4-hydroxy-N-[1-(4-nitrophenyl)ethyl]-6-oxo-2-thioxo-pyrimidine-5-carboxamide CAS Name: 1,3-diethyl-4-hydroxy-N-[1-(4-nitrophenyl)ethyl]-6-oxo-2-sulfanylidene-5-pyrimidinecarboxamide IUPAC Name: 1,3-diethyl-4-hydroxy-N-[1-(4-nitrophenyl)ethyl]-6-oxo-2-sulfanylidenepyrimidine-5-carboxamide Traditional Name: 1,3-diethyl-4-hydroxy-6-keto-N-[1-(4-nitrophenyl)ethyl]-2-thioxo-pyrimidine-5-carboxamide Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)N(C1=S)CC)C(=O)NC(C)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCN1C(=C(C(=O)N(C1=S)CC)C(=O)NC(C)C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H20N4O5S/c1-4-19-15(23)13(16(24)20(5-2)17(19)27)14(22)18-10(3)11-6-8-12(9-7-11)21(25)26/h6-10,23H,4-5H2,1-3H3,(H,18,22)