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

Systemtic Name: cyclohexyl 2-[5-(4-bromophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: cyclohexyl 2-[5-(4-bromophenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-bromophenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[5-(4-bromophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(4-bromophenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl]acetic acid cyclohexyl ester Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)OC3CCCCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)OC3CCCCC3)C4=CC=C(C=C4)Br

InChI

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