2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-6-methyl-5-(3-methylbutyl)pyrimidin-4-olate

Systemtic Name: 2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-6-methyl-5-(3-methylbutyl)pyrimidin-4-olate Openeye Name: 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-isopentyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[(2,6-dichlorophenyl)methylthio]-6-methyl-5-(3-methylbutyl)-4-pyrimidinolate IUPAC Name: 2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)pyrimidin-4-olate Traditional Name: 2-[(2,6-dichlorobenzyl)thio]-5-isoamyl-6-methyl-pyrimidin-4-olate Formula: C17H19Cl2N2OS- MolecularWeight: 370.31656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=C(C=CC=C2Cl)Cl)[O-])CCC(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=C(C=CC=C2Cl)Cl)[O-])CCC(C)C

InChI

InChI=1S/C17H20Cl2N2OS/c1-10(2)7-8-12-11(3)20-17(21-16(12)22)23-9-13-14(18)5-4-6-15(13)19/h4-6,10H,7-9H2,1-3H3,(H,20,21,22)/p-1