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

Systemtic Name: 5-[(4-methoxyphenyl)methyl]-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-[(2-methyl-5-nitrophenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(4-methoxyphenyl)methyl]-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-2-[(2-methyl-5-nitro-benzyl)thio]-5-p-anisyl-1H-pyrimidin-6-one Formula: C20H19N3O5S MolecularWeight: 413.44696

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S/c1-12-3-6-15(23(26)27)10-14(12)11-29-20-21-18(24)17(19(25)22-20)9-13-4-7-16(28-2)8-5-13/h3-8,10H,9,11H2,1-2H3,(H2,21,22,24,25)