4-oxidanylidene-N-(6-oxidanylidene-8-sulfanylidene-7,9-dihydro-3H-purin-2-yl)-1H-quinazoline-2-carbothioamide

Systemtic Name: 4-oxidanylidene-N-(6-oxidanylidene-8-sulfanylidene-7,9-dihydro-3H-purin-2-yl)-1H-quinazoline-2-carbothioamide Openeye Name: 4-oxo-N-(6-oxo-8-thioxo-7,9-dihydro-3H-purin-2-yl)-1H-quinazoline-2-carbothioamide CAS Name: 4-oxo-N-(6-oxo-8-sulfanylidene-7,9-dihydro-3H-purin-2-yl)-1H-quinazoline-2-carbothioamide IUPAC Name: 4-oxo-N-(6-oxo-8-sulfanylidene-7,9-dihydro-3H-purin-2-yl)-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(6-keto-8-thioxo-7,9-dihydro-3H-purin-2-yl)-1H-quinazoline-2-carbothioamide Formula: C14H9N7O2S2 MolecularWeight: 371.39696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC(=O)C4=C(N3)NC(=S)N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC(=O)C4=C(N3)NC(=S)N4

InChI

InChI=1S/C14H9N7O2S2/c22-10-5-3-1-2-4-6(5)15-9(17-10)12(24)21-13-18-8-7(11(23)20-13)16-14(25)19-8/h1-4H,(H,15,17,22)(H4,16,18,19,20,21,23,24,25)