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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(4-chlorophenyl)methyl]-4-hydroxy-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 5-[(4-chlorophenyl)methyl]-4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 5-[(4-chlorophenyl)methyl]-4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 5-(4-chlorobenzyl)-4-hydroxy-2-[(2-methyl-5-nitro-benzyl)thio]-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-])CSC2=NC(=C(C(=O)N2)CC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=C(C(=O)N2)CC3=CC=C(C=C3)Cl)O

InChI

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