1-[3-[[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]amino]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-[[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]amino]-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-[[5-(isobutylcarbamoyl)-1-methyl-pyrazol-4-yl]amino]-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-[[1-methyl-5-[(2-methylpropylamino)-oxomethyl]-4-pyrazolyl]amino]-3-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-[[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-[[5-(isobutylcarbamoyl)-1-methyl-pyrazol-4-yl]amino]-3-keto-propyl]pyrazole-4-carboxylic acid Formula: C16H22N6O4 MolecularWeight: 362.38368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=C(C=NN1C)NC(=O)CCN2C=C(C=N2)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=C(C=NN1C)NC(=O)CCN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C16H22N6O4/c1-10(2)6-17-15(24)14-12(8-18-21(14)3)20-13(23)4-5-22-9-11(7-19-22)16(25)26/h7-10H,4-6H2,1-3H3,(H,17,24)(H,20,23)(H,25,26)