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

Systemtic Name: 2-[(E)-2-[5-(4-methylphenyl)sulfanylfuran-2-yl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-nitro-2-[(E)-2-[5-(p-tolylsulfanyl)-2-furyl]vinyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(E)-2-[5-[(4-methylphenyl)thio]-2-furanyl]ethenyl]-5-nitro-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(E)-2-[5-(4-methylphenyl)sulfanylfuran-2-yl]ethenyl]-5-nitro-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-nitro-2-[(E)-2-[5-(p-tolylthio)-2-furyl]vinyl]-1H-pyrimidin-6-one Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(O2)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(O2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O

InChI

InChI=1S/C17H13N3O5S/c1-10-2-6-12(7-3-10)26-14-9-5-11(25-14)4-8-13-18-16(21)15(20(23)24)17(22)19-13/h2-9H,1H3,(H2,18,19,21,22)/b8-4+