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

Systemtic Name: [4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate Openeye Name: [4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate CAS Name: 2-pentyl-1,3-dithiane-5-carboxylic acid [4-[5-(4-heptylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate Traditional Name: 2-amyl-1,3-dithiane-5-carboxylic acid [4-[5-(4-heptylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C33H48N2O2S2 MolecularWeight: 568.87642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CSC(SC4)CCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CSC(SC4)CCCCC

InChI

InChI=1S/C33H48N2O2S2/c1-3-5-7-8-10-11-25-13-15-26(16-14-25)28-21-34-32(35-22-28)27-17-19-30(20-18-27)37-33(36)29-23-38-31(39-24-29)12-9-6-4-2/h17-22,25-26,29,31H,3-16,23-24H2,1-2H3