2-phenoxyethyl 3-(2-butoxy-2-oxidanylidene-ethyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-phenoxyethyl 3-(2-butoxy-2-oxidanylidene-ethyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-phenoxyethyl 3-(2-butoxy-2-oxo-ethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(2-butoxy-2-oxoethyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 3-(2-butoxy-2-oxoethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-butoxy-2-keto-ethyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-phenoxyethyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)OCCOC3=CC=CC=C3)C

Isomeric SMILES

CCCCOC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)OCCOC3=CC=CC=C3)C

InChI

InChI=1S/C22H24N2O6S/c1-3-4-10-29-17(25)13-24-14-23-20-18(21(24)26)15(2)19(31-20)22(27)30-12-11-28-16-8-6-5-7-9-16/h5-9,14H,3-4,10-13H2,1-2H3