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

Systemtic Name: 5-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(4-fluorobenzyl)-2-[(4-methoxy-3-nitro-benzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C20H18FN3O4S MolecularWeight: 415.438023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O4S/c1-12-16(9-13-3-6-15(21)7-4-13)19(25)23-20(22-12)29-11-14-5-8-18(28-2)17(10-14)24(26)27/h3-8,10H,9,11H2,1-2H3,(H,22,23,25)