7-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]-3-ethyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]-3-ethyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[[4-[(4,6-dimethyl-2-pyrimidinyl)thio]anilino]-oxomethyl]-3-ethyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamoyl]-3-ethyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate Formula: C23H20N5O2S2- MolecularWeight: 462.5672

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=CC=C(C=C3)SC4=NC(=CC(=N4)C)C)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=CC=C(C=C3)SC4=NC(=CC(=N4)C)C)[O-]

InChI

InChI=1S/C23H21N5O2S2/c1-4-28-21(30)18-10-5-15(12-19(18)27-23(28)31)20(29)26-16-6-8-17(9-7-16)32-22-24-13(2)11-14(3)25-22/h5-12,30H,4H2,1-3H3,(H,26,29)/p-1