3-(1,4,6-trimethyl-3-oxidanylidene-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoic acid hydrate

Systemtic Name: 3-(1,4,6-trimethyl-3-oxidanylidene-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoic acid hydrate Openeye Name: 3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoic acid hydrate CAS Name: 3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoic acid hydrate IUPAC Name: 3-(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanoic acid hydrate Traditional Name: 3-(3-keto-1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propionic acid hydrate Formula: C12H17N3O4 MolecularWeight: 267.28108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=O)NN(C2=NC(=C1CCC(=O)O)C)C.O

Isomeric SMILES

CC1=C2C(=O)NN(C2=NC(=C1CCC(=O)O)C)C.O

InChI

InChI=1S/C12H15N3O3.H2O/c1-6-8(4-5-9(16)17)7(2)13-11-10(6)12(18)14-15(11)3;/h4-5H2,1-3H3,(H,14,18)(H,16,17);1H2