1-[2-(cyclohexen-1-yl)ethyl]-6-oxidanylidene-5-[(2-piperazin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-oxidanylidene-5-[(2-piperazin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-oxo-5-[(2-piperazin-1-ium-1-ylethylamino)methylene]-2-thioxo-pyrimidin-4-olate CAS Name: 1-[2-(1-cyclohexenyl)ethyl]-6-oxo-5-[[2-(1-piperazin-1-iumyl)ethylamino]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-oxo-5-[(2-piperazin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-keto-5-[(2-piperazin-1-ium-1-ylethylamino)methylene]-2-thioxo-pyrimidin-4-olate Formula: C19H29N5O2S MolecularWeight: 391.53086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C(=CNCC[NH+]3CCNCC3)C(=NC2=S)[O-]

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C(=CNCC[NH+]3CCNCC3)C(=NC2=S)[O-]

InChI

InChI=1S/C19H29N5O2S/c25-17-16(14-21-9-13-23-11-7-20-8-12-23)18(26)24(19(27)22-17)10-6-15-4-2-1-3-5-15/h4,14,20-21H,1-3,5-13H2,(H,22,25,27)