1-[(2R)-butan-2-yl]-5-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 1-[(2R)-butan-2-yl]-5-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methylene]-1-[(1R)-1-methylpropyl]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 1-[(2R)-butan-2-yl]-5-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 1-[(2R)-butan-2-yl]-5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 6-keto-5-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]methylene]-1-[(1R)-1-methylpropyl]-2-thioxo-pyrimidin-4-olate Formula: C20H22N5O3S- MolecularWeight: 412.48538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CNC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=NC1=S)[O-]

Isomeric SMILES

CC[C@@H](C)N1C(=O)C(=CNC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=NC1=S)[O-]

InChI

InChI=1S/C20H23N5O3S/c1-5-12(2)24-18(27)15(17(26)22-20(24)29)11-21-16-13(3)23(4)25(19(16)28)14-9-7-6-8-10-14/h6-12,21H,5H2,1-4H3,(H,22,26,29)/p-1/t12-/m1/s1