4-oxidanyl-2-[2-oxidanylidene-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]sulfanyl-5-[(E)-3-phenylprop-2-enyl]-1H-pyrimidin-6-one

Systemtic Name: 4-oxidanyl-2-[2-oxidanylidene-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]sulfanyl-5-[(E)-3-phenylprop-2-enyl]-1H-pyrimidin-6-one Openeye Name: 5-[(E)-cinnamyl]-4-hydroxy-2-[2-oxo-2-[2-(3-pyridyl)-1-piperidyl]ethyl]sulfanyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[[2-oxo-2-[2-(3-pyridinyl)-1-piperidinyl]ethyl]thio]-5-[(E)-3-phenylprop-2-enyl]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]sulfanyl-5-[(E)-3-phenylprop-2-enyl]-1H-pyrimidin-6-one Traditional Name: 5-[(E)-cinnamyl]-4-hydroxy-2-[[2-keto-2-[2-(3-pyridyl)piperidino]ethyl]thio]-1H-pyrimidin-6-one Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)C(=O)CSC3=NC(=C(C(=O)N3)CC=CC4=CC=CC=C4)O

Isomeric SMILES

C1CCN(C(C1)C2=CN=CC=C2)C(=O)CSC3=NC(=C(C(=O)N3)C/C=C/C4=CC=CC=C4)O

InChI

InChI=1S/C25H26N4O3S/c30-22(29-15-5-4-13-21(29)19-11-7-14-26-16-19)17-33-25-27-23(31)20(24(32)28-25)12-6-10-18-8-2-1-3-9-18/h1-3,6-11,14,16,21H,4-5,12-13,15,17H2,(H2,27,28,31,32)/b10-6+