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

Systemtic Name: 2-(6-phenylmethoxyhexylsulfanyl)-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-(6-benzyloxyhexylsulfanyl)-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-(6-phenylmethoxyhexylthio)-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-(6-phenylmethoxyhexylsulfanyl)-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-(6-benzoxyhexylthio)-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)COCCCCCCSC2=NC=C(C(=O)N2)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COCCCCCCSC2=NC=C(C(=O)N2)CC3=CN=CC=C3

InChI

InChI=1S/C23H27N3O2S/c27-22-21(15-20-11-8-12-24-16-20)17-25-23(26-22)29-14-7-2-1-6-13-28-18-19-9-4-3-5-10-19/h3-5,8-12,16-17H,1-2,6-7,13-15,18H2,(H,25,26,27)