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

Systemtic Name: butyl 2-[4-oxidanylidene-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: butyl 2-[4-oxo-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[4-oxo-5-(4-propoxyphenyl)-3-thieno[2,3-d]pyrimidinyl]acetic acid butyl ester IUPAC Name: butyl 2-[4-oxo-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[4-keto-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid butyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)OCCC

Isomeric SMILES

CCCCOC(=O)CN1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)OCCC

InChI

InChI=1S/C21H24N2O4S/c1-3-5-11-27-18(24)12-23-14-22-20-19(21(23)25)17(13-28-20)15-6-8-16(9-7-15)26-10-4-2/h6-9,13-14H,3-5,10-12H2,1-2H3