ethyl 6-methyl-2-methylsulfanyl-4-(5-nitrofuran-2-yl)-1-phenyl-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-2-methylsulfanyl-4-(5-nitrofuran-2-yl)-1-phenyl-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-2-methylsulfanyl-4-(5-nitro-2-furyl)-1-phenyl-4H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-(methylthio)-4-(5-nitro-2-furanyl)-1-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-methylsulfanyl-4-(5-nitrofuran-2-yl)-1-phenyl-4H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-(methylthio)-4-(5-nitro-2-furyl)-1-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC1C2=CC=C(O2)[N+](=O)[O-])SC)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC1C2=CC=C(O2)[N+](=O)[O-])SC)C3=CC=CC=C3)C

InChI

InChI=1S/C19H19N3O5S/c1-4-26-18(23)16-12(2)21(13-8-6-5-7-9-13)19(28-3)20-17(16)14-10-11-15(27-14)22(24)25/h5-11,17H,4H2,1-3H3