butyl 2-[4-oxidanylidene-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoate

Systemtic Name: butyl 2-[4-oxidanylidene-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: butyl 2-[4-oxo-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 2-[4-oxo-5-(4-propoxyphenyl)-3-thieno[2,3-d]pyrimidinyl]propanoic acid butyl ester IUPAC Name: butyl 2-[4-oxo-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 2-[4-keto-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid butyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)OCCC

Isomeric SMILES

CCCCOC(=O)C(C)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)OCCC

InChI

InChI=1S/C22H26N2O4S/c1-4-6-12-28-22(26)15(3)24-14-23-20-19(21(24)25)18(13-29-20)16-7-9-17(10-8-16)27-11-5-2/h7-10,13-15H,4-6,11-12H2,1-3H3