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

Systemtic Name: 2-(2-hexylsulfanylethylsulfanyl)-6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-(2-hexylsulfanylethylsulfanyl)-6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-4-one CAS Name: 2-[2-(hexylthio)ethylthio]-6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(2-hexylsulfanylethylsulfanyl)-6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-[2-(hexylthio)ethylthio]-6-methyl-5-(2-methyl-5-nitro-benzyl)-1H-pyrimidin-4-one Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCCSC1=NC(=O)C(=C(N1)C)CC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCSCCSC1=NC(=O)C(=C(N1)C)CC2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C21H29N3O3S2/c1-4-5-6-7-10-28-11-12-29-21-22-16(3)19(20(25)23-21)14-17-13-18(24(26)27)9-8-15(17)2/h8-9,13H,4-7,10-12,14H2,1-3H3,(H,22,23,25)