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

Systemtic Name: 5-butyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-butyl-4-hydroxy-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 5-butyl-4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 5-butyl-4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 5-butyl-4-hydroxy-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-6-one Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)SCC2=C(C=CC(=C2)[N+](=O)[O-])C)O

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)SCC2=C(C=CC(=C2)[N+](=O)[O-])C)O

InChI

InChI=1S/C16H19N3O4S/c1-3-4-5-13-14(20)17-16(18-15(13)21)24-9-11-8-12(19(22)23)7-6-10(11)2/h6-8H,3-5,9H2,1-2H3,(H2,17,18,20,21)