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

Systemtic Name: 2-(2-cyclopentylsulfanylethylsulfanyl)-5-[(2-methyl-5-nitro-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-(2-cyclopentylsulfanylethylsulfanyl)-4-hydroxy-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[2-(cyclopentylthio)ethylthio]-4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-(2-cyclopentylsulfanylethylsulfanyl)-4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[2-(cyclopentylthio)ethylthio]-4-hydroxy-5-(2-methyl-5-nitro-benzyl)-1H-pyrimidin-6-one Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S2/c1-12-6-7-14(22(25)26)10-13(12)11-16-17(23)20-19(21-18(16)24)28-9-8-27-15-4-2-3-5-15/h6-7,10,15H,2-5,8-9,11H2,1H3,(H2,20,21,23,24)