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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C(=C(N1)C)CC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CCCCSC1=NC(=O)C(=C(N1)C)CC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H19N3O4S/c1-3-4-7-24-16-17-10(2)13(15(21)18-16)9-11-8-12(19(22)23)5-6-14(11)20/h5-6,8,20H,3-4,7,9H2,1-2H3,(H,17,18,21)