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

Systemtic Name: cyclohexyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Openeye Name: cyclohexyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate CAS Name: 2-[[5-(4-methoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Traditional Name: 2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]propionic acid cyclohexyl ester Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S2/c1-14(22(25)27-17-6-4-3-5-7-17)29-21-19-18(12-28-20(19)23-13-24-21)15-8-10-16(26-2)11-9-15/h8-14,17H,3-7H2,1-2H3