ethyl 1-(4-ethoxyphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-(4-ethoxyphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-(4-ethoxyphenyl)-2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-(4-ethoxyphenyl)-2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-ethoxyphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-6-keto-1-p-phenetyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CN=C2SCC(=O)NCC3=CC=CO3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=CN=C2SCC(=O)NCC3=CC=CO3)C(=O)OCC

InChI

InChI=1S/C22H23N3O6S/c1-3-29-16-9-7-15(8-10-16)25-20(27)18(21(28)30-4-2)13-24-22(25)32-14-19(26)23-12-17-6-5-11-31-17/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,26)