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

Systemtic Name: N-[6,8-bis(oxidanylidene)-7,9-dihydro-3H-purin-2-yl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(6,8-dioxo-7,9-dihydro-3H-purin-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(6,8-dioxo-7,9-dihydro-3H-purin-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(6,8-dioxo-7,9-dihydro-3H-purin-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-(6,8-diketo-7,9-dihydro-3H-purin-2-yl)-4-keto-1H-quinazoline-2-carbothioamide Formula: C14H9N7O3S MolecularWeight: 355.33136

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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(=O)N4

Isomeric SMILES

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

InChI

InChI=1S/C14H9N7O3S/c22-10-5-3-1-2-4-6(5)15-9(17-10)12(25)21-13-18-8-7(11(23)20-13)16-14(24)19-8/h1-4H,(H,15,17,22)(H4,16,18,19,20,21,23,24,25)