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

Systemtic Name: 4-oxidanylidene-N-(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)-1H-quinazoline-2-carbothioamide Openeye Name: N-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-(4-hydroxy-6-keto-1H-pyrimidin-2-yl)-4-keto-1H-quinazoline-2-carbothioamide Formula: C13H9N5O3S MolecularWeight: 315.30726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N5O3S/c19-8-5-9(20)16-13(15-8)18-12(22)10-14-7-4-2-1-3-6(7)11(21)17-10/h1-5H,(H,14,17,21)(H3,15,16,18,19,20,22)