ethyl 4-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-(furan-2-yl)-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-(furan-2-yl)-6-methyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-[N-(cyanomethyl)anilino]-2-oxo-ethyl]sulfanyl-2-(2-furyl)-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-[N-(cyanomethyl)anilino]-2-oxoethyl]thio]-2-(2-furanyl)-6-methyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[N-(cyanomethyl)anilino]-2-oxoethyl]sulfanyl-2-(furan-2-yl)-6-methylpyrimidine-5-carboxylate Traditional Name: 4-[[2-[N-(cyanomethyl)anilino]-2-keto-ethyl]thio]-2-(2-furyl)-6-methyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCC(=O)N(CC#N)C2=CC=CC=C2)C3=CC=CO3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC(=O)N(CC#N)C2=CC=CC=C2)C3=CC=CO3)C

InChI

InChI=1S/C22H20N4O4S/c1-3-29-22(28)19-15(2)24-20(17-10-7-13-30-17)25-21(19)31-14-18(27)26(12-11-23)16-8-5-4-6-9-16/h4-10,13H,3,12,14H2,1-2H3