1,3,7-tris(2-oxidanylidenepropyl)purine-2,6-dione

Systemtic Name: 1,3,7-tris(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 1,3,7-triacetonylpurine-2,6-dione CAS Name: 1,3,7-tris(2-oxopropyl)purine-2,6-dione IUPAC Name: 1,3,7-tris(2-oxopropyl)purine-2,6-dione Traditional Name: 1,3,7-triacetonylxanthine Formula: C14H16N4O5 MolecularWeight: 320.30064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2CC(=O)C)CC(=O)C

Isomeric SMILES

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2CC(=O)C)CC(=O)C

InChI

InChI=1S/C14H16N4O5/c1-8(19)4-16-7-15-12-11(16)13(22)18(6-10(3)21)14(23)17(12)5-9(2)20/h7H,4-6H2,1-3H3