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

Systemtic Name: 6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-2-(2-prop-2-enylsulfanylethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-(2-allylsulfanylethylsulfanyl)-6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-2-[2-(prop-2-enylthio)ethylthio]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-2-(2-prop-2-enylsulfanylethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 2-[2-(allylthio)ethylthio]-6-methyl-5-(2-methyl-5-nitro-benzyl)-1H-pyrimidin-4-one Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S2/c1-4-7-25-8-9-26-18-19-13(3)16(17(22)20-18)11-14-10-15(21(23)24)6-5-12(14)2/h4-6,10H,1,7-9,11H2,2-3H3,(H,19,20,22)