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

Systemtic Name: 1-cyclohexyl-5-[[[4-[2-(diethylazaniumyl)ethoxycarbonyl]phenyl]amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 1-cyclohexyl-5-[[4-[2-(diethylammonio)ethoxycarbonyl]anilino]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 1-cyclohexyl-5-[[4-[2-(diethylammonio)ethoxy-oxomethyl]anilino]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 1-cyclohexyl-5-[[4-[2-(diethylazaniumyl)ethoxycarbonyl]anilino]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 1-cyclohexyl-5-[[4-[2-(diethylammonio)ethoxycarbonyl]anilino]methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC=C2C(=NC(=S)N(C2=O)C3CCCCC3)[O-]

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC=C2C(=NC(=S)N(C2=O)C3CCCCC3)[O-]

InChI

InChI=1S/C24H32N4O4S/c1-3-27(4-2)14-15-32-23(31)17-10-12-18(13-11-17)25-16-20-21(29)26-24(33)28(22(20)30)19-8-6-5-7-9-19/h10-13,16,19,25H,3-9,14-15H2,1-2H3,(H,26,29,33)