(3E)-3-[[(6-chloranyl-7H-purin-2-yl)amino]-oxidanyl-methylidene]-1H-quinoline-2,4-dione

Systemtic Name: (3E)-3-[[(6-chloranyl-7H-purin-2-yl)amino]-oxidanyl-methylidene]-1H-quinoline-2,4-dione Openeye Name: (3E)-3-[[(6-chloro-7H-purin-2-yl)amino]-hydroxy-methylene]-1H-quinoline-2,4-dione CAS Name: (3E)-3-[[(6-chloro-7H-purin-2-yl)amino]-hydroxymethylidene]-1H-quinoline-2,4-dione IUPAC Name: (3E)-3-[[(6-chloro-7H-purin-2-yl)amino]-hydroxymethylidene]-1H-quinoline-2,4-dione Traditional Name: (3E)-3-[[(6-chloro-7H-purin-2-yl)amino]-hydroxy-methylene]-1H-quinoline-2,4-quinone Formula: C15H9ClN6O3 MolecularWeight: 356.72336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(NC3=NC4=C(C(=N3)Cl)NC=N4)O)C(=O)N2

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)/C(=C(/NC3=NC4=C(C(=N3)Cl)NC=N4)\O)/C(=O)N2

InChI

InChI=1S/C15H9ClN6O3/c16-11-9-12(18-5-17-9)21-15(20-11)22-14(25)8-10(23)6-3-1-2-4-7(6)19-13(8)24/h1-5,25H,(H,19,24)(H2,17,18,20,21,22)/b14-8+