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

Systemtic Name: cyclohexyl 2-[5-(4-fluorophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: cyclohexyl 2-[5-(4-fluorophenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 2-[5-(4-fluorophenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl]propionic acid cyclohexyl ester Formula: C22H23FN2O3S MolecularWeight: 414.493023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN2O3S/c1-13(22(27)28-17-6-4-3-5-7-17)25-12-24-20-19(21(25)26)18(14(2)29-20)15-8-10-16(23)11-9-15/h8-13,17H,3-7H2,1-2H3