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

Systemtic Name: 5-nitro-4-oxidanyl-2-[(E)-2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethenyl]-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-nitro-2-[(E)-2-[5-(2-thienyl)-1H-pyrazol-4-yl]vinyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-nitro-2-[(E)-2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethenyl]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-nitro-2-[(E)-2-(5-thiophen-2-yl-1H-pyrazol-4-yl)ethenyl]-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-nitro-2-[(E)-2-[5-(2-thienyl)-1H-pyrazol-4-yl]vinyl]-1H-pyrimidin-6-one Formula: C13H9N5O4S MolecularWeight: 331.30666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C=NN2)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O

Isomeric SMILES

C1=CSC(=C1)C2=C(C=NN2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O

InChI

InChI=1S/C13H9N5O4S/c19-12-11(18(21)22)13(20)16-9(15-12)4-3-7-6-14-17-10(7)8-2-1-5-23-8/h1-6H,(H,14,17)(H2,15,16,19,20)/b4-3+