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

Systemtic Name: 5-[(2-methyl-5-nitro-phenyl)methyl]-4-oxidanyl-2-(2-prop-2-enylsulfanylethylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-(2-allylsulfanylethylsulfanyl)-4-hydroxy-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-2-[2-(prop-2-enylthio)ethylthio]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-2-(2-prop-2-enylsulfanylethylsulfanyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-(allylthio)ethylthio]-4-hydroxy-5-(2-methyl-5-nitro-benzyl)-1H-pyrimidin-6-one Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(N=C(NC2=O)SCCSCC=C)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(N=C(NC2=O)SCCSCC=C)O

InChI

InChI=1S/C17H19N3O4S2/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/h3-5,9H,1,6-8,10H2,2H3,(H2,18,19,21,22)