2-[1,3-dimethyl-8-morpholin-4-yl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: 2-[1,3-dimethyl-8-morpholin-4-yl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: 2-(1,3-dimethyl-8-morpholino-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-[1,3-dimethyl-8-(4-morpholinyl)-2,6-dioxo-7-purinyl]acetate IUPAC Name: 2-(1,3-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-8-morpholino-purin-7-yl)acetate Formula: C13H16N5O5- MolecularWeight: 322.29664

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(=O)[O-]

InChI

InChI=1S/C13H17N5O5/c1-15-10-9(11(21)16(2)13(15)22)18(7-8(19)20)12(14-10)17-3-5-23-6-4-17/h3-7H2,1-2H3,(H,19,20)/p-1