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

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-5-pentyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-5-pentyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylthio]-5-pentyl-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-5-pentyl-1H-pyrimidin-6-one Traditional Name: 5-amyl-4-hydroxy-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-6-one Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=C(NC1=O)SCC2=C(C=CC(=C2)[N+](=O)[O-])C)O

Isomeric SMILES

CCCCCC1=C(N=C(NC1=O)SCC2=C(C=CC(=C2)[N+](=O)[O-])C)O

InChI

InChI=1S/C17H21N3O4S/c1-3-4-5-6-14-15(21)18-17(19-16(14)22)25-10-12-9-13(20(23)24)8-7-11(12)2/h7-9H,3-6,10H2,1-2H3,(H2,18,19,21,22)