ethyl 1-(3,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-(3,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-(3,4-dimethylphenyl)-2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-(3,4-dimethylphenyl)-2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3,4-dimethylphenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)-2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)C2=CC(=C(C=C2)C)C)SCC(=O)NCC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)C2=CC(=C(C=C2)C)C)SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H23N3O5S/c1-4-29-21(28)18-12-24-22(31-13-19(26)23-11-17-6-5-9-30-17)25(20(18)27)16-8-7-14(2)15(3)10-16/h5-10,12H,4,11,13H2,1-3H3,(H,23,26)