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

Systemtic Name: [4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate Openeye Name: [4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate CAS Name: 2-pentyl-1,3-dithiane-5-carboxylic acid [4-[5-(4-pentylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate Traditional Name: 2-amyl-1,3-dithiane-5-carboxylic acid [4-[5-(4-amylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C31H44N2O2S2 MolecularWeight: 540.82326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CSC(SC4)CCCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CSC(SC4)CCCCC

InChI

InChI=1S/C31H44N2O2S2/c1-3-5-7-9-23-11-13-24(14-12-23)26-19-32-30(33-20-26)25-15-17-28(18-16-25)35-31(34)27-21-36-29(37-22-27)10-8-6-4-2/h15-20,23-24,27,29H,3-14,21-22H2,1-2H3