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

Systemtic Name: 2-phenoxyethyl 3-(1-methoxy-1-oxidanylidene-butan-2-yl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-phenoxyethyl 3-(1-methoxycarbonylpropyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(1-methoxy-1-oxobutan-2-yl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 3-(1-methoxy-1-oxobutan-2-yl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(1-carbomethoxypropyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-phenoxyethyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6S/c1-4-15(20(25)27-3)23-12-22-18-16(19(23)24)13(2)17(30-18)21(26)29-11-10-28-14-8-6-5-7-9-14/h5-9,12,15H,4,10-11H2,1-3H3