4-oxidanylidene-N-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)-1H-quinazoline-2-carbothioamide

Systemtic Name: 4-oxidanylidene-N-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)-1H-quinazoline-2-carbothioamide Openeye Name: 4-oxo-N-(4-oxo-2-thioxo-1H-pyrimidin-6-yl)-1H-quinazoline-2-carbothioamide CAS Name: 4-oxo-N-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-1H-quinazoline-2-carbothioamide IUPAC Name: 4-oxo-N-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(4-keto-2-thioxo-1H-pyrimidin-6-yl)-1H-quinazoline-2-carbothioamide Formula: C13H9N5O2S2 MolecularWeight: 331.37286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=CC(=O)NC(=S)N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=CC(=O)NC(=S)N3

InChI

InChI=1S/C13H9N5O2S2/c19-9-5-8(16-13(22)17-9)15-12(21)10-14-7-4-2-1-3-6(7)11(20)18-10/h1-5H,(H,14,18,20)(H3,15,16,17,19,21,22)