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

Systemtic Name: propan-2-yl 5-methyl-4-oxidanylidene-3-(4-phenoxybutyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 5-methyl-4-oxo-3-(4-phenoxybutyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-(4-phenoxybutyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-methyl-4-oxo-3-(4-phenoxybutyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(4-phenoxybutyl)thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCCCOC3=CC=CC=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCCCOC3=CC=CC=C3)C(=O)OC(C)C

InChI

InChI=1S/C21H24N2O4S/c1-14(2)27-21(25)18-15(3)17-19(28-18)22-13-23(20(17)24)11-7-8-12-26-16-9-5-4-6-10-16/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3