4-[[4-indol-1-yl-6-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-indol-1-yl-6-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-indol-1-yl-6-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid CAS Name: 4-[[4-(1-indolyl)-6-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid IUPAC Name: 4-[[4-indol-1-yl-6-(3-methyl-5-oxo-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-indol-1-yl-6-(5-keto-3-methyl-2-pyrazolin-1-yl)-s-triazin-2-yl]amino]benzoic acid Formula: C22H17N7O3 MolecularWeight: 427.41548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=NC(=NC(=N2)N3C=CC4=CC=CC=C43)NC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1)C2=NC(=NC(=N2)N3C=CC4=CC=CC=C43)NC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C22H17N7O3/c1-13-12-18(30)29(27-13)22-25-20(23-16-8-6-15(7-9-16)19(31)32)24-21(26-22)28-11-10-14-4-2-3-5-17(14)28/h2-11H,12H2,1H3,(H,31,32)(H,23,24,25,26)