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

Systemtic Name: butyl 2-[4-oxidanylidene-5-(4-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: butyl 2-[5-(4-isopropoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[4-oxo-5-(4-propan-2-yloxyphenyl)-3-thieno[2,3-d]pyrimidinyl]acetic acid butyl ester IUPAC Name: butyl 2-[4-oxo-5-(4-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(4-isopropoxyphenyl)-4-keto-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)OC(C)C

Isomeric SMILES

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

InChI

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