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

Systemtic Name: 2-methylpropyl 2-[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=CN(C2=O)CC(=O)OCC(C)C)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)CC(=O)OCC(C)C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN2O3S/c1-4-15-17(13-5-7-14(21)8-6-13)18-19(27-15)22-11-23(20(18)25)9-16(24)26-10-12(2)3/h5-8,11-12H,4,9-10H2,1-3H3