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

Systemtic Name: ethyl 4-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCC(=O)NCC2=CC=CO2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC(=O)NCC2=CC=CO2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O4S/c1-3-27-21(26)18-14(2)23-19(15-8-5-4-6-9-15)24-20(18)29-13-17(25)22-12-16-10-7-11-28-16/h4-11H,3,12-13H2,1-2H3,(H,22,25)