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

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-5-propyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-5-propyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylthio]-5-propyl-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-5-propyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-2-[(2-methyl-5-nitro-benzyl)thio]-5-propyl-1H-pyrimidin-6-one Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(NC1=O)SCC2=C(C=CC(=C2)[N+](=O)[O-])C)O

Isomeric SMILES

CCCC1=C(N=C(NC1=O)SCC2=C(C=CC(=C2)[N+](=O)[O-])C)O

InChI

InChI=1S/C15H17N3O4S/c1-3-4-12-13(19)16-15(17-14(12)20)23-8-10-7-11(18(21)22)6-5-9(10)2/h5-7H,3-4,8H2,1-2H3,(H2,16,17,19,20)