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

Systemtic Name: pentyl 2-[4-oxidanylidene-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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