5-[(4-chlorophenyl)methyl]-6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 5-[(4-chlorophenyl)methyl]-6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5-[(4-chlorophenyl)methyl]-6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 5-[(4-chlorophenyl)methyl]-6-methyl-2-[(2-methyl-5-nitrophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 5-[(4-chlorophenyl)methyl]-6-methyl-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 5-(4-chlorobenzyl)-6-methyl-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-4-one Formula: C20H18ClN3O3S MolecularWeight: 415.89322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=O)C(=C(N2)C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=O)C(=C(N2)C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O3S/c1-12-3-8-17(24(26)27)10-15(12)11-28-20-22-13(2)18(19(25)23-20)9-14-4-6-16(21)7-5-14/h3-8,10H,9,11H2,1-2H3,(H,22,23,25)