5-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-2-methyl-1H-benzimidazole-4-carboxylic acid

Systemtic Name: 5-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-2-methyl-1H-benzimidazole-4-carboxylic acid Openeye Name: 5-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-2-methyl-1H-benzimidazole-4-carboxylic acid CAS Name: 5-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]-oxomethyl]-2-methyl-1H-benzimidazole-4-carboxylic acid IUPAC Name: 5-[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1H-benzimidazole-4-carboxylic acid Traditional Name: 5-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-2-methyl-1H-benzimidazole-4-carboxylic acid Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C=CC(=C2C(=O)O)C(=O)NC(C)(C(C)C)C(=O)N

Isomeric SMILES

CC1=NC2=C(N1)C=CC(=C2C(=O)O)C(=O)NC(C)(C(C)C)C(=O)N

InChI

InChI=1S/C16H20N4O4/c1-7(2)16(4,15(17)24)20-13(21)9-5-6-10-12(11(9)14(22)23)19-8(3)18-10/h5-7H,1-4H3,(H2,17,24)(H,18,19)(H,20,21)(H,22,23)