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

Systemtic Name: cyclohexyl 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Openeye Name: cyclohexyl 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate CAS Name: 2-[[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Traditional Name: 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]propionic acid cyclohexyl ester Formula: C23H26N2O2S2 MolecularWeight: 426.59474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SC(C)C(=O)OC4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SC(C)C(=O)OC4CCCCC4)C

InChI

InChI=1S/C23H26N2O2S2/c1-14-9-10-17(11-15(14)2)19-12-28-21-20(19)22(25-13-24-21)29-16(3)23(26)27-18-7-5-4-6-8-18/h9-13,16,18H,4-8H2,1-3H3