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

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-8-pyrrolidin-1-yl-purin-7-yl]ethanoate Openeye Name: 2-(3-methyl-2,6-dioxo-8-pyrrolidin-1-yl-purin-7-yl)acetate CAS Name: 2-[3-methyl-2,6-dioxo-8-(1-pyrrolidinyl)-7-purinyl]acetate IUPAC Name: 2-(3-methyl-2,6-dioxo-8-pyrrolidin-1-ylpurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-3-methyl-8-pyrrolidino-purin-7-yl)acetate Formula: C12H14N5O4- MolecularWeight: 292.27066

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC(=O)[O-]

InChI

InChI=1S/C12H15N5O4/c1-15-9-8(10(20)14-12(15)21)17(6-7(18)19)11(13-9)16-4-2-3-5-16/h2-6H2,1H3,(H,18,19)(H,14,20,21)/p-1