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

Systemtic Name: 2-(2-ethylsulfanylethylsulfanyl)-6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-(2-ethylsulfanylethylsulfanyl)-6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-4-one CAS Name: 2-[2-(ethylthio)ethylthio]-6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(2-ethylsulfanylethylsulfanyl)-6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-[2-(ethylthio)ethylthio]-6-methyl-5-(2-methyl-5-nitro-benzyl)-1H-pyrimidin-4-one Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCSC1=NC(=O)C(=C(N1)C)CC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCSCCSC1=NC(=O)C(=C(N1)C)CC2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N3O3S2/c1-4-24-7-8-25-17-18-12(3)15(16(21)19-17)10-13-9-14(20(22)23)6-5-11(13)2/h5-6,9H,4,7-8,10H2,1-3H3,(H,18,19,21)