sodium 4-[[4-[methyl(phenyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]-oxidanyl-methyl]benzoate

Systemtic Name: sodium 4-[[4-[methyl(phenyl)amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]-oxidanyl-methyl]benzoate Openeye Name: sodium 4-[hydroxy-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]benzoate CAS Name: sodium 4-[hydroxy-[4-(N-methylanilino)-8-pyrazolo[1,5-a][1,3,5]triazinyl]methyl]benzoate IUPAC Name: sodium 4-[hydroxy-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]benzoate Traditional Name: sodium 4-[hydroxy-[4-(N-methylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]benzoate Formula: C20H16N5NaO3 MolecularWeight: 397.36251

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC=NC3=C(C=NN32)C(C4=CC=C(C=C4)C(=O)[O-])O.[Na+]

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC=NC3=C(C=NN32)C(C4=CC=C(C=C4)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C20H17N5O3.Na/c1-24(15-5-3-2-4-6-15)20-22-12-21-18-16(11-23-25(18)20)17(26)13-7-9-14(10-8-13)19(27)28;/h2-12,17,26H,1H3,(H,27,28);/q;+1/p-1