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

Systemtic Name: 5-[(2-chlorophenyl)methyl]-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(2-chlorophenyl)methyl]-4-hydroxy-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 5-[(2-chlorophenyl)methyl]-4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 5-[(2-chlorophenyl)methyl]-4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 5-(2-chlorobenzyl)-4-hydroxy-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-6-one Formula: C19H16ClN3O4S MolecularWeight: 417.86604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3Cl)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3Cl)O

InChI

InChI=1S/C19H16ClN3O4S/c1-11-6-7-14(23(26)27)8-13(11)10-28-19-21-17(24)15(18(25)22-19)9-12-4-2-3-5-16(12)20/h2-8H,9-10H2,1H3,(H2,21,22,24,25)