4-oxidanylidene-N-(2-oxidanylidene-1,7-dihydropurin-6-yl)-1H-quinazoline-2-carbothioamide

Systemtic Name: 4-oxidanylidene-N-(2-oxidanylidene-1,7-dihydropurin-6-yl)-1H-quinazoline-2-carbothioamide Openeye Name: 4-oxo-N-(2-oxo-1,7-dihydropurin-6-yl)-1H-quinazoline-2-carbothioamide CAS Name: 4-oxo-N-(2-oxo-1,7-dihydropurin-6-yl)-1H-quinazoline-2-carbothioamide IUPAC Name: 4-oxo-N-(2-oxo-1,7-dihydropurin-6-yl)-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(2-keto-1,7-dihydropurin-6-yl)-1H-quinazoline-2-carbothioamide Formula: C14H9N7O2S MolecularWeight: 339.33196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=C4C(=NC(=O)N3)N=CN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=C4C(=NC(=O)N3)N=CN4

InChI

InChI=1S/C14H9N7O2S/c22-12-6-3-1-2-4-7(6)17-11(18-12)13(24)19-10-8-9(16-5-15-8)20-14(23)21-10/h1-5H,(H,17,18,22)(H3,15,16,19,20,21,23,24)