(2S)-1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S)-1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)pyrrolidin-1-ium-2-carboxylate Formula: C12H15N5O4 MolecularWeight: 293.2786

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[NH+]3CCCC3C(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[NH+]3CCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C12H15N5O4/c1-15-8-7(9(18)16(2)12(15)21)13-11(14-8)17-5-3-4-6(17)10(19)20/h6H,3-5H2,1-2H3,(H,13,14)(H,19,20)/t6-/m0/s1