2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-[(E)-2-(3-methyl-2-thienyl)vinyl]-5-nitro-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(E)-2-(3-methyl-2-thiophenyl)ethenyl]-5-nitro-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitro-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-2-[(E)-2-(3-methyl-2-thienyl)vinyl]-5-nitro-1H-pyrimidin-6-one Formula: C11H9N3O4S MolecularWeight: 279.27186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(SC=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O

InChI

InChI=1S/C11H9N3O4S/c1-6-4-5-19-7(6)2-3-8-12-10(15)9(14(17)18)11(16)13-8/h2-5H,1H3,(H2,12,13,15,16)/b3-2+