5-[(6-methylpyridin-3-yl)methyl]-2-(6-phenylmethoxyhexylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[(6-methylpyridin-3-yl)methyl]-2-(6-phenylmethoxyhexylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-(6-benzyloxyhexylsulfanyl)-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one CAS Name: 5-[(6-methyl-3-pyridinyl)methyl]-2-(6-phenylmethoxyhexylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(6-methylpyridin-3-yl)methyl]-2-(6-phenylmethoxyhexylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 2-(6-benzoxyhexylthio)-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-6-one Formula: C24H29N3O2S MolecularWeight: 423.57096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)SCCCCCCOCC3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(C=C1)CC2=CN=C(NC2=O)SCCCCCCOCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O2S/c1-19-11-12-21(16-25-19)15-22-17-26-24(27-23(22)28)30-14-8-3-2-7-13-29-18-20-9-5-4-6-10-20/h4-6,9-12,16-17H,2-3,7-8,13-15,18H2,1H3,(H,26,27,28)