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

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(5-oxidanylpentyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-1-(5-hydroxypentyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-(5-hydroxypentyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-1-(5-hydroxypentyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-1-(5-hydroxypentyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C28H35ClN4O3S MolecularWeight: 543.1205

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCCCCCSC2=NC(=O)C(=CN2CCCCCO)CC3=CN=CN=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCCCCCSC2=NC(=O)C(=CN2CCCCCO)CC3=CN=CN=C3)Cl

InChI

InChI=1S/C28H35ClN4O3S/c29-25-12-10-23(11-13-25)26(35)9-5-2-1-3-8-16-37-28-32-27(36)24(17-22-18-30-21-31-19-22)20-33(28)14-6-4-7-15-34/h10-13,18-21,34H,1-9,14-17H2