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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2Cl)CC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2Cl)CC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

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