2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(3-oxidanylpropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-1-(3-oxidanylpropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-1-(3-hydroxypropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-1-(3-hydroxypropyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-1-(3-hydroxypropyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-1-(3-hydroxypropyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C26H31ClN4O3S MolecularWeight: 515.06734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCCCCCSC2=NC(=O)C(=CN2CCCO)CC3=CN=CN=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCCCCCSC2=NC(=O)C(=CN2CCCO)CC3=CN=CN=C3)Cl

InChI

InChI=1S/C26H31ClN4O3S/c27-23-10-8-21(9-11-23)24(33)7-4-2-1-3-5-14-35-26-30-25(34)22(18-31(26)12-6-13-32)15-20-16-28-19-29-17-20/h8-11,16-19,32H,1-7,12-15H2