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

Systemtic Name: 6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-2-(2-propylsulfanylethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-2-(2-propylsulfanylethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-2-[2-(propylthio)ethylthio]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-2-(2-propylsulfanylethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 6-methyl-5-(2-methyl-5-nitro-benzyl)-2-[2-(propylthio)ethylthio]-1H-pyrimidin-4-one Formula: C18H23N3O3S2 MolecularWeight: 393.52352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S2/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/h5-6,10H,4,7-9,11H2,1-3H3,(H,19,20,22)