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2-(7-phenoxyheptylsulfanyl)-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

2-(7-phenoxyheptylsulfanyl)-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name:2-(7-phenoxyheptylsulfanyl)-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
Openeye Name:2-(7-phenoxyheptylsulfanyl)-5-(3-pyridylmethyl)-1H-pyrimidin-6-one
CAS Name:2-(7-phenoxyheptylthio)-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one
IUPAC Name:2-(7-phenoxyheptylsulfanyl)-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
Traditional Name:2-(7-phenoxyheptylthio)-5-(3-pyridylmethyl)-1H-pyrimidin-6-one
Formula: C23H27N3O2S
MolecularWeight: 409.54438
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCCCCSC2=NC=C(C(=O)N2)CC3=CN=CC=C3


Isomeric SMILES

C1=CC=C(C=C1)OCCCCCCCSC2=NC=C(C(=O)N2)CC3=CN=CC=C3


InChI

InChI=1S/C23H27N3O2S/c27-22-20(16-19-10-9-13-24-17-19)18-25-23(26-22)29-15-8-3-1-2-7-14-28-21-11-5-4-6-12-21/h4-6,9-13,17-18H,1-3,7-8,14-16H2,(H,25,26,27)


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