5-[[(2-azaniumylcyclohexyl)amino]methylidene]-1-butan-2-yl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-[[(2-azaniumylcyclohexyl)amino]methylidene]-1-butan-2-yl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[[(2-azaniumylcyclohexyl)amino]methylene]-6-oxo-1-sec-butyl-2-thioxo-pyrimidin-4-olate CAS Name: 5-[[(2-ammoniocyclohexyl)amino]methylidene]-1-butan-2-yl-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[[(2-azaniumylcyclohexyl)amino]methylidene]-1-butan-2-yl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[[(2-ammoniocyclohexyl)amino]methylene]-6-keto-1-sec-butyl-2-thioxo-pyrimidin-4-olate Formula: C15H24N4O2S MolecularWeight: 324.44166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CNC2CCCCC2[NH3+])C(=NC1=S)[O-]

Isomeric SMILES

CCC(C)N1C(=O)C(=CNC2CCCCC2[NH3+])C(=NC1=S)[O-]

InChI

InChI=1S/C15H24N4O2S/c1-3-9(2)19-14(21)10(13(20)18-15(19)22)8-17-12-7-5-4-6-11(12)16/h8-9,11-12,17H,3-7,16H2,1-2H3,(H,18,20,22)