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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-5-(2-methoxy-5-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=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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