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

Systemtic Name: ethyl 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1-(4-methylphenyl)-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-6-oxo-1-(p-tolyl)pyrimidine-5-carboxylate CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-1-(4-methylphenyl)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1-(4-methylphenyl)-6-oxopyrimidine-5-carboxylate Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-6-keto-1-(p-tolyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c1-3-28-20(27)17-12-23-21(24(19(17)26)15-8-6-14(2)7-9-15)30-13-18(25)22-11-16-5-4-10-29-16/h4-10,12H,3,11,13H2,1-2H3,(H,22,25)