5-[[(2-azaniumylphenyl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-[[(2-azaniumylphenyl)amino]methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[(2-azaniumylanilino)methylene]-1-[2-(cyclohexen-1-yl)ethyl]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-[(2-ammonioanilino)methylidene]-1-[2-(1-cyclohexenyl)ethyl]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-[(2-azaniumylanilino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-[(2-ammonioanilino)methylene]-1-[2-(cyclohexen-1-yl)ethyl]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C(=CNC3=CC=CC=C3[NH3+])C(=NC2=S)[O-]

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C(=CNC3=CC=CC=C3[NH3+])C(=NC2=S)[O-]

InChI

InChI=1S/C19H22N4O2S/c20-15-8-4-5-9-16(15)21-12-14-17(24)22-19(26)23(18(14)25)11-10-13-6-2-1-3-7-13/h4-6,8-9,12,21H,1-3,7,10-11,20H2,(H,22,24,26)