[4-(4-thiophen-2-ylpyrimidin-2-yl)phenyl] cyclohexanecarboxylate

Systemtic Name: [4-(4-thiophen-2-ylpyrimidin-2-yl)phenyl] cyclohexanecarboxylate Openeye Name: [4-[4-(2-thienyl)pyrimidin-2-yl]phenyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [4-(4-thiophen-2-yl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(4-thiophen-2-ylpyrimidin-2-yl)phenyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [4-[4-(2-thienyl)pyrimidin-2-yl]phenyl] ester Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC=CC(=N3)C4=CC=CS4

Isomeric SMILES

C1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H20N2O2S/c24-21(16-5-2-1-3-6-16)25-17-10-8-15(9-11-17)20-22-13-12-18(23-20)19-7-4-14-26-19/h4,7-14,16H,1-3,5-6H2