2-[(E)-2-(5-cyclohexylsulfanylfuran-2-yl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(E)-2-(5-cyclohexylsulfanylfuran-2-yl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(5-cyclohexylsulfanyl-2-furyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-[5-(cyclohexylthio)-2-furanyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-(5-cyclohexylsulfanylfuran-2-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-[5-(cyclohexylthio)-2-furyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=CC=C(O2)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O

Isomeric SMILES

C1CCC(CC1)SC2=CC=C(O2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O

InChI

InChI=1S/C16H17N3O5S/c20-15-14(19(22)23)16(21)18-12(17-15)8-6-10-7-9-13(24-10)25-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,17,18,20,21)/b8-6+