1-(1H-benzimidazol-2-yl)-3-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid dihydrate

Systemtic Name: 1-(1H-benzimidazol-2-yl)-3-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid dihydrate Openeye Name: 1-(1H-benzimidazol-2-yl)-3-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid dihydrate CAS Name: 1-(1H-benzimidazol-2-yl)-3-methyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid dihydrate IUPAC Name: 1-(1H-benzimidazol-2-yl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid dihydrate Traditional Name: 1-(1H-benzimidazol-2-yl)-3-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid dihydrate Formula: C15H15N5O4 MolecularWeight: 329.3107

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)O)C3=NC4=CC=CC=C4N3.O.O

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)O)C3=NC4=CC=CC=C4N3.O.O

InChI

InChI=1S/C15H11N5O2.2H2O/c1-8-10-6-9(14(21)22)7-16-13(10)20(19-8)15-17-11-4-2-3-5-12(11)18-15;;/h2-7H,1H3,(H,17,18)(H,21,22);2*1H2