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

Systemtic Name: (5Z)-1-(3,5-dimethylphenyl)-6-oxidanylidene-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-(3,5-dimethylphenyl)-6-oxo-5-[(5-pyrrolidin-1-yl-2-furyl)methylene]-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-1-(3,5-dimethylphenyl)-6-oxo-5-[[5-(1-pyrrolidinyl)-2-furanyl]methylidene]-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-1-(3,5-dimethylphenyl)-6-oxo-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-1-(3,5-dimethylphenyl)-6-keto-5-[(5-pyrrolidino-2-furyl)methylene]-2-thioxo-pyrimidin-4-olate Formula: C21H20N3O3S- MolecularWeight: 394.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(O3)N4CCCC4)C(=NC2=S)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)/C(=C\C3=CC=C(O3)N4CCCC4)/C(=NC2=S)[O-])C

InChI

InChI=1S/C21H21N3O3S/c1-13-9-14(2)11-15(10-13)24-20(26)17(19(25)22-21(24)28)12-16-5-6-18(27-16)23-7-3-4-8-23/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,22,25,28)/p-1/b17-12-