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

Systemtic Name: 5-[(2-methyl-5-nitro-phenyl)methyl]-4-oxidanyl-2-(2-propylsulfanylethylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-[(2-methyl-5-nitro-phenyl)methyl]-2-(2-propylsulfanylethylsulfanyl)-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-2-[2-(propylthio)ethylthio]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-2-(2-propylsulfanylethylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-(2-methyl-5-nitro-benzyl)-2-[2-(propylthio)ethylthio]-1H-pyrimidin-6-one Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCSC1=NC(=C(C(=O)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])C)O

Isomeric SMILES

CCCSCCSC1=NC(=C(C(=O)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])C)O

InChI

InChI=1S/C17H21N3O4S2/c1-3-6-25-7-8-26-17-18-15(21)14(16(22)19-17)10-12-9-13(20(23)24)5-4-11(12)2/h4-5,9H,3,6-8,10H2,1-2H3,(H2,18,19,21,22)