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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-pyrrolidin-1-yl-purin-7-yl]ethanoate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-8-pyrrolidin-1-yl-purin-7-yl)acetate CAS Name: 2-[1,3-dimethyl-2,6-dioxo-8-(1-pyrrolidinyl)-7-purinyl]acetate IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-8-pyrrolidin-1-ylpurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-8-pyrrolidino-purin-7-yl)acetate Formula: C13H16N5O4- MolecularWeight: 306.29724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC(=O)[O-]

InChI

InChI=1S/C13H17N5O4/c1-15-10-9(11(21)16(2)13(15)22)18(7-8(19)20)12(14-10)17-5-3-4-6-17/h3-7H2,1-2H3,(H,19,20)/p-1