ethyl 4-[5-(2-chloranyl-5-nitro-phenyl)furan-2-yl]-1,6-dimethyl-2-methylsulfanyl-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[5-(2-chloranyl-5-nitro-phenyl)furan-2-yl]-1,6-dimethyl-2-methylsulfanyl-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[5-(2-chloro-5-nitro-phenyl)-2-furyl]-1,6-dimethyl-2-methylsulfanyl-4H-pyrimidine-5-carboxylate CAS Name: 4-[5-(2-chloro-5-nitrophenyl)-2-furanyl]-1,6-dimethyl-2-(methylthio)-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1,6-dimethyl-2-methylsulfanyl-4H-pyrimidine-5-carboxylate Traditional Name: 4-[5-(2-chloro-5-nitro-phenyl)-2-furyl]-1,6-dimethyl-2-(methylthio)-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O5S/c1-5-28-19(25)17-11(2)23(3)20(30-4)22-18(17)16-9-8-15(29-16)13-10-12(24(26)27)6-7-14(13)21/h6-10,18H,5H2,1-4H3