cyclohexyl 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate

Systemtic Name: cyclohexyl 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Openeye Name: cyclohexyl 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate CAS Name: 2-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]thio]propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Traditional Name: 2-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]thio]propionic acid cyclohexyl ester Formula: C21H21BrN2O2S2 MolecularWeight: 477.43764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CCCCC1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C(=O)OC1CCCCC1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN2O2S2/c1-13(21(25)26-16-5-3-2-4-6-16)28-20-18-17(11-27-19(18)23-12-24-20)14-7-9-15(22)10-8-14/h7-13,16H,2-6H2,1H3