ethyl 4-azanyl-2-(2,4-dinitrophenyl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(2,4-dinitrophenyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(2,4-dinitrophenyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2,4-dinitrophenyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2,4-dinitrophenyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2,4-dinitrophenyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C13H11N5O6S MolecularWeight: 365.32134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O6S/c1-2-24-12(19)8-6-15-13(16-11(8)14)25-10-4-3-7(17(20)21)5-9(10)18(22)23/h3-6H,2H2,1H3,(H2,14,15,16)