2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(2-hydroxyethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(2-hydroxyethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-1-(2-hydroxyethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-(2-hydroxyethyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-1-(2-hydroxyethyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-1-(2-hydroxyethyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C25H29ClN4O3S MolecularWeight: 501.04076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCCCCCSC2=NC(=O)C(=CN2CCO)CC3=CN=CN=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCCCCCSC2=NC(=O)C(=CN2CCO)CC3=CN=CN=C3)Cl

InChI

InChI=1S/C25H29ClN4O3S/c26-22-9-7-20(8-10-22)23(32)6-4-2-1-3-5-13-34-25-29-24(33)21(17-30(25)11-12-31)14-19-15-27-18-28-16-19/h7-10,15-18,31H,1-6,11-14H2