cyclohexyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: cyclohexyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: cyclohexyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-(4-methoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetic acid cyclohexyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)OC4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)OC4CCCCC4

InChI

InChI=1S/C21H22N2O3S2/c1-25-15-9-7-14(8-10-15)17-11-27-20-19(17)21(23-13-22-20)28-12-18(24)26-16-5-3-2-4-6-16/h7-11,13,16H,2-6,12H2,1H3