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

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]ethanoate Openeye Name: 2-[3-methyl-2,6-dioxo-8-(1-piperidyl)purin-7-yl]acetate CAS Name: 2-[3-methyl-2,6-dioxo-8-(1-piperidinyl)-7-purinyl]acetate IUPAC Name: 2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-3-methyl-8-piperidino-purin-7-yl)acetate Formula: C13H16N5O4- MolecularWeight: 306.29724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(=O)[O-]

InChI

InChI=1S/C13H17N5O4/c1-16-10-9(11(21)15-13(16)22)18(7-8(19)20)12(14-10)17-5-3-2-4-6-17/h2-7H2,1H3,(H,19,20)(H,15,21,22)/p-1