ethyl 1,6-dimethyl-2-methylsulfanyl-4-(5-nitrofuran-2-yl)-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1,6-dimethyl-2-methylsulfanyl-4-(5-nitrofuran-2-yl)-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 1,6-dimethyl-2-methylsulfanyl-4-(5-nitro-2-furyl)-4H-pyrimidine-5-carboxylate CAS Name: 1,6-dimethyl-2-(methylthio)-4-(5-nitro-2-furanyl)-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1,6-dimethyl-2-methylsulfanyl-4-(5-nitrofuran-2-yl)-4H-pyrimidine-5-carboxylate Traditional Name: 1,6-dimethyl-2-(methylthio)-4-(5-nitro-2-furyl)-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H17N3O5S MolecularWeight: 339.36688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5S/c1-5-21-13(18)11-8(2)16(3)14(23-4)15-12(11)9-6-7-10(22-9)17(19)20/h6-7,12H,5H2,1-4H3