5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)-6-thiomorpholin-4-yl-1H-pyrimidine-4-thione; prop-1-ene

Systemtic Name: 5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)-6-thiomorpholin-4-yl-1H-pyrimidine-4-thione; prop-1-ene Openeye Name: 5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholino-1H-pyrimidine-4-thione; prop-1-ene CAS Name: 5-nitro-2-(1-oxido-1-piperazin-1-iumyl)-6-thiomorpholin-4-yl-1H-pyrimidine-4-thione; 1-propene IUPAC Name: 5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholin-4-yl-1H-pyrimidine-4-thione; prop-1-ene Traditional Name: 5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholino-1H-pyrimidine-4-thione; prop-1-ene Formula: C15H24N6O3S2 MolecularWeight: 400.51946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C.C1C[N+](CCN1)(C2=NC(=S)C(=C(N2)N3CCSCC3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC=C.C1C[N+](CCN1)(C2=NC(=S)C(=C(N2)N3CCSCC3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H18N6O3S2.C3H6/c19-17(20)9-10(16-3-7-23-8-4-16)14-12(15-11(9)22)18(21)5-1-13-2-6-18;1-3-2/h13H,1-8H2,(H,14,15,22);3H,1H2,2H3