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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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