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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(C(=O)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])C)O

Isomeric SMILES

CCCSC1=NC(=C(C(=O)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])C)O

InChI

InChI=1S/C15H17N3O4S/c1-3-6-23-15-16-13(19)12(14(20)17-15)8-10-7-11(18(21)22)5-4-9(10)2/h4-5,7H,3,6,8H2,1-2H3,(H2,16,17,19,20)