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

Systemtic Name: 4-oxidanylidene-N-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-quinazoline-2-carbothioamide Openeye Name: 4-oxo-N-(2-thioxo-1H-pyrimidin-6-yl)-1H-quinazoline-2-carbothioamide CAS Name: 4-oxo-N-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-quinazoline-2-carbothioamide IUPAC Name: 4-oxo-N-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(2-thioxo-1H-pyrimidin-6-yl)-1H-quinazoline-2-carbothioamide Formula: C13H9N5OS2 MolecularWeight: 315.37346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N5OS2/c19-11-7-3-1-2-4-8(7)15-10(18-11)12(20)16-9-5-6-14-13(21)17-9/h1-6H,(H,15,18,19)(H2,14,16,17,20,21)