butyl 2-[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: butyl 2-[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: butyl 2-[5-(4-bromophenyl)-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-bromophenyl)-6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid butyl ester IUPAC Name: butyl 2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(4-bromophenyl)-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetic acid butyl ester Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C=NC2=C(C1=O)C(=C(S2)CC)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCOC(=O)CN1C=NC2=C(C1=O)C(=C(S2)CC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN2O3S/c1-3-5-10-26-16(24)11-23-12-22-19-18(20(23)25)17(15(4-2)27-19)13-6-8-14(21)9-7-13/h6-9,12H,3-5,10-11H2,1-2H3