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

Systemtic Name: 2-(2-cyclopentylsulfanylethylsulfanyl)-6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-(2-cyclopentylsulfanylethylsulfanyl)-6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-4-one CAS Name: 2-[2-(cyclopentylthio)ethylthio]-6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(2-cyclopentylsulfanylethylsulfanyl)-6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-[2-(cyclopentylthio)ethylthio]-6-methyl-5-(2-methyl-5-nitro-benzyl)-1H-pyrimidin-4-one Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(NC(=NC2=O)SCCSC3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(NC(=NC2=O)SCCSC3CCCC3)C

InChI

InChI=1S/C20H25N3O3S2/c1-13-7-8-16(23(25)26)11-15(13)12-18-14(2)21-20(22-19(18)24)28-10-9-27-17-5-3-4-6-17/h7-8,11,17H,3-6,9-10,12H2,1-2H3,(H,21,22,24)