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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CSC2=NC(=C(C(=O)N2)CC3=C(C=CC(=C3)[N+](=O)[O-])C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CSC2=NC(=C(C(=O)N2)CC3=C(C=CC(=C3)[N+](=O)[O-])C)O

InChI

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