6-methyl-2-[3-(4-phenylmethoxyphenoxy)propylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[3-(4-phenylmethoxyphenoxy)propylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 2-[3-(4-benzyloxyphenoxy)propylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[3-(4-phenylmethoxyphenoxy)propylthio]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[3-(4-phenylmethoxyphenoxy)propylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 2-[3-(4-benzoxyphenoxy)propylthio]-6-methyl-1H-pyrimidin-4-one Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-16-14-20(24)23-21(22-16)27-13-5-12-25-18-8-10-19(11-9-18)26-15-17-6-3-2-4-7-17/h2-4,6-11,14H,5,12-13,15H2,1H3,(H,22,23,24)