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

Systemtic Name: cyclopentyl 2-[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: cyclopentyl 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 cyclopentyl ester IUPAC Name: cyclopentyl 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 cyclopentyl ester Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=CN(C2=O)CC(=O)OC3CCCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)CC(=O)OC3CCCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN2O3S/c1-2-16-18(13-7-9-14(22)10-8-13)19-20(28-16)23-12-24(21(19)26)11-17(25)27-15-5-3-4-6-15/h7-10,12,15H,2-6,11H2,1H3