5-[(E)-pyrimidin-5-ylmethylideneamino]thiolan-3-one

Systemtic Name: 5-[(E)-pyrimidin-5-ylmethylideneamino]thiolan-3-one Openeye Name: 5-[(E)-pyrimidin-5-ylmethyleneamino]tetrahydrothiophen-3-one CAS Name: 5-[(E)-5-pyrimidinylmethylideneamino]-3-thiolanone IUPAC Name: 5-[(E)-pyrimidin-5-ylmethylideneamino]thiolan-3-one Traditional Name: 5-[(E)-5-pyrimidylmethyleneamino]tetrahydrothiophen-3-one Formula: C9H9N3OS MolecularWeight: 207.25226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(SCC1=O)N=CC2=CN=CN=C2

Isomeric SMILES

C1C(SCC1=O)/N=C/C2=CN=CN=C2

InChI

InChI=1S/C9H9N3OS/c13-8-1-9(14-5-8)12-4-7-2-10-6-11-3-7/h2-4,6,9H,1,5H2/b12-4+