2-(6-phenylmethoxyhexylsulfanyl)-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-(6-phenylmethoxyhexylsulfanyl)-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-(6-benzyloxyhexylsulfanyl)-5-(4-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-(6-phenylmethoxyhexylthio)-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-(6-phenylmethoxyhexylsulfanyl)-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-(6-benzoxyhexylthio)-5-(4-pyridylmethyl)-1H-pyrimidin-6-one Formula: C23H27N3O2S MolecularWeight: 409.54438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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