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

Systemtic Name: cyclohexyl 2-[5-(4-chlorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: cyclohexyl 2-[5-(4-chlorophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 2-[5-(4-chlorophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 2-[5-(4-chlorophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionic acid cyclohexyl ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CCCCC1)N2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)OC1CCCCC1)N2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-13(21(26)27-16-5-3-2-4-6-16)24-12-23-19-18(20(24)25)17(11-28-19)14-7-9-15(22)10-8-14/h7-13,16H,2-6H2,1H3