2-[8-(furan-2-yl)-8-oxidanylidene-octyl]sulfanyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[8-(furan-2-yl)-8-oxidanylidene-octyl]sulfanyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[8-(2-furyl)-8-oxo-octyl]sulfanyl-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[[8-(2-furanyl)-8-oxooctyl]thio]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[8-(furan-2-yl)-8-oxooctyl]sulfanyl-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[[8-(2-furyl)-8-keto-octyl]thio]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)SCCCCCCCC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)SCCCCCCCC(=O)C3=CC=CO3

InChI

InChI=1S/C22H25N3O3S/c26-19(20-10-7-12-28-20)9-4-2-1-3-5-13-29-22-24-16-18(21(27)25-22)14-17-8-6-11-23-15-17/h6-8,10-12,15-16H,1-5,9,13-14H2,(H,24,25,27)