3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]propanoate

Systemtic Name: 3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]propanoate Openeye Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]propanoate CAS Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]propanoate IUPAC Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]propanoate Traditional Name: 3-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)amino]propionate Formula: C10H12N5O4- MolecularWeight: 266.23338

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCC(=O)[O-]

InChI

InChI=1S/C10H13N5O4/c1-14-7-6(8(18)15(2)10(14)19)12-9(13-7)11-4-3-5(16)17/h3-4H2,1-2H3,(H,16,17)(H2,11,12,13)/p-1