5-[(2-chloranylphenoxy)methyl]-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-[(2-chloranylphenoxy)methyl]-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-[(2-chlorophenoxy)methyl]-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-[(2-chlorophenoxy)methyl]-6-methyl-2-(pentylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(2-chlorophenoxy)methyl]-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(amylthio)-5-[(2-chlorophenoxy)methyl]-6-methyl-1H-pyrimidin-4-one Formula: C17H21ClN2O2S MolecularWeight: 352.87884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(=C(N1)C)COC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCSC1=NC(=O)C(=C(N1)C)COC2=CC=CC=C2Cl

InChI

InChI=1S/C17H21ClN2O2S/c1-3-4-7-10-23-17-19-12(2)13(16(21)20-17)11-22-15-9-6-5-8-14(15)18/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,19,20,21)