(5Z)-5-[(2,5-dimethyl-1-pyrrolidin-1-yl-pyrrol-3-yl)methylidene]-1-(2-methylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-5-[(2,5-dimethyl-1-pyrrolidin-1-yl-pyrrol-3-yl)methylidene]-1-(2-methylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-5-[(2,5-dimethyl-1-pyrrolidin-1-yl-pyrrol-3-yl)methylene]-1-(o-tolyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[[2,5-dimethyl-1-(1-pyrrolidinyl)-3-pyrrolyl]methylidene]-1-(2-methylphenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[(2,5-dimethyl-1-pyrrolidin-1-ylpyrrol-3-yl)methylidene]-1-(2-methylphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-5-[(2,5-dimethyl-1-pyrrolidino-pyrrol-3-yl)methylene]-6-keto-1-(o-tolyl)-2-thioxo-pyrimidin-4-olate Formula: C22H23N4O2S- MolecularWeight: 407.50862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CC3=C(N(C(=C3)C)N4CCCC4)C)C(=NC2=S)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)/C(=C\C3=C(N(C(=C3)C)N4CCCC4)C)/C(=NC2=S)[O-]

InChI

InChI=1S/C22H24N4O2S/c1-14-8-4-5-9-19(14)25-21(28)18(20(27)23-22(25)29)13-17-12-15(2)26(16(17)3)24-10-6-7-11-24/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,23,27,29)/p-1/b18-13-