5-[(7H-purin-6-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(7H-purin-6-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(7H-purin-6-ylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(7H-purin-6-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(7H-purin-6-ylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(7H-purin-6-ylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C10H7N7O2S MolecularWeight: 289.27328

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)NC=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)NC=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C10H7N7O2S/c18-8-4(9(19)17-10(20)16-8)1-11-6-5-7(13-2-12-5)15-3-14-6/h1-3H,(H2,11,12,13,14,15)(H2,16,17,18,19,20)