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

Systemtic Name: cyclohexyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate Openeye Name: cyclohexyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate CAS Name: 2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate Traditional Name: 2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]propionic acid cyclohexyl ester Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2S2/c1-14(21(24)25-16-10-6-3-7-11-16)27-20-18-17(15-8-4-2-5-9-15)12-26-19(18)22-13-23-20/h2,4-5,8-9,12-14,16H,3,6-7,10-11H2,1H3