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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)Cl)C

InChI

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