[4-(5-hexylpyrimidin-2-yl)phenyl] 5-hexylthiophene-2-carboxylate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 5-hexylthiophene-2-carboxylate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 5-hexylthiophene-2-carboxylate CAS Name: 5-hexyl-2-thiophenecarboxylic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 5-hexylthiophene-2-carboxylate Traditional Name: 5-hexylthiophene-2-carboxylic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C27H34N2O2S MolecularWeight: 450.63606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(S1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(S1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC

InChI

InChI=1S/C27H34N2O2S/c1-3-5-7-9-11-21-19-28-26(29-20-21)22-13-15-23(16-14-22)31-27(30)25-18-17-24(32-25)12-10-8-6-4-2/h13-20H,3-12H2,1-2H3