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

Systemtic Name: 5-[[(2-azaniumylcyclohexyl)amino]methylidene]-1-cyclohexyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[[(2-azaniumylcyclohexyl)amino]methylene]-1-cyclohexyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[[(2-ammoniocyclohexyl)amino]methylidene]-1-cyclohexyl-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[[(2-azaniumylcyclohexyl)amino]methylidene]-1-cyclohexyl-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[[(2-ammoniocyclohexyl)amino]methylene]-1-cyclohexyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C17H26N4O2S MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=CNC3CCCCC3[NH3+])C(=NC2=S)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=CNC3CCCCC3[NH3+])C(=NC2=S)[O-]

InChI

InChI=1S/C17H26N4O2S/c18-13-8-4-5-9-14(13)19-10-12-15(22)20-17(24)21(16(12)23)11-6-2-1-3-7-11/h10-11,13-14,19H,1-9,18H2,(H,20,22,24)