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

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 5-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 5-(4-ethoxybenzyl)-4-hydroxy-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-6-one Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=C(C=CC(=C3)[N+](=O)[O-])C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=C(C=CC(=C3)[N+](=O)[O-])C)O

InChI

InChI=1S/C21H21N3O5S/c1-3-29-17-8-5-14(6-9-17)10-18-19(25)22-21(23-20(18)26)30-12-15-11-16(24(27)28)7-4-13(15)2/h4-9,11H,3,10,12H2,1-2H3,(H2,22,23,25,26)