[4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate

Systemtic Name: [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate Openeye Name: [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate CAS Name: 2-pentyl-1,3-dithiane-5-carboxylic acid [4-[5-(4-propylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate Traditional Name: 2-amyl-1,3-dithiane-5-carboxylic acid [4-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C29H40N2O2S2 MolecularWeight: 512.7701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1SCC(CS1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)C4CCC(CC4)CCC

Isomeric SMILES

CCCCCC1SCC(CS1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)C4CCC(CC4)CCC

InChI

InChI=1S/C29H40N2O2S2/c1-3-5-6-8-27-34-19-25(20-35-27)29(32)33-26-15-13-23(14-16-26)28-30-17-24(18-31-28)22-11-9-21(7-4-2)10-12-22/h13-18,21-22,25,27H,3-12,19-20H2,1-2H3