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

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-5-[(2-methyl-5-nitro-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-[(4-methoxyphenyl)methylsulfanyl]-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(4-methoxyphenyl)methylthio]-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(4-methoxyphenyl)methylsulfanyl]-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-(2-methyl-5-nitro-benzyl)-2-(p-anisylthio)-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-])CC2=C(N=C(NC2=O)SCC3=CC=C(C=C3)OC)O

Isomeric SMILES

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

InChI

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