1-methyl-2-(propan-2-ylamino)imidazole-4,5-dicarboxylic acid

Systemtic Name: 1-methyl-2-(propan-2-ylamino)imidazole-4,5-dicarboxylic acid Openeye Name: 2-(isopropylamino)-1-methyl-imidazole-4,5-dicarboxylic acid CAS Name: 1-methyl-2-(propan-2-ylamino)imidazole-4,5-dicarboxylic acid IUPAC Name: 1-methyl-2-(propan-2-ylamino)imidazole-4,5-dicarboxylic acid Traditional Name: 2-(isopropylamino)-1-methyl-imidazole-4,5-dicarboxylic acid Formula: C9H13N3O4 MolecularWeight: 227.21722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=C(N1C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)NC1=NC(=C(N1C)C(=O)O)C(=O)O

InChI

InChI=1S/C9H13N3O4/c1-4(2)10-9-11-5(7(13)14)6(8(15)16)12(9)3/h4H,1-3H3,(H,10,11)(H,13,14)(H,15,16)