2-phenoxyethyl 5-methyl-4-oxidanylidene-3-(1-oxidanylidene-1-propoxy-propan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-phenoxyethyl 5-methyl-4-oxidanylidene-3-(1-oxidanylidene-1-propoxy-propan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-phenoxyethyl 5-methyl-3-(1-methyl-2-oxo-2-propoxy-ethyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-(1-oxo-1-propoxypropan-2-yl)-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 5-methyl-4-oxo-3-(1-oxo-1-propoxypropan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-(2-keto-1-methyl-2-propoxy-ethyl)-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:

CCCOC(=O)C(C)N1C=NC2=C(C1=O)C(=C(S2)C(=O)OCCOC3=CC=CC=C3)C

Isomeric SMILES

CCCOC(=O)C(C)N1C=NC2=C(C1=O)C(=C(S2)C(=O)OCCOC3=CC=CC=C3)C

InChI

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