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

Systemtic Name: 2-[3-[[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[1-methyl-5-[[(1-methyl-4-pyrazolyl)methylamino]-oxomethyl]-4-pyrazolyl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]amino]propyl]pyrazole-3-carboxylic acid Formula: C17H20N8O4 MolecularWeight: 400.3919

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2=C(C=NN2C)NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)C2=C(C=NN2C)NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C17H20N8O4/c1-23-10-11(8-20-23)7-18-16(27)15-12(9-21-24(15)2)22-14(26)4-6-25-13(17(28)29)3-5-19-25/h3,5,8-10H,4,6-7H2,1-2H3,(H,18,27)(H,22,26)(H,28,29)