2-[(4-chlorophenyl)methylsulfanyl]-5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-5-(4-methoxy-3-nitro-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)Cl)CC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)Cl)CC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN3O4S/c1-12-16(9-14-5-8-18(28-2)17(10-14)24(26)27)19(25)23-20(22-12)29-11-13-3-6-15(21)7-4-13/h3-8,10H,9,11H2,1-2H3,(H,22,23,25)