3-[(1,3-dimethyl-7-oxidanylidene-6-propan-2-yl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid

Systemtic Name: 3-[(1,3-dimethyl-7-oxidanylidene-6-propan-2-yl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid Openeye Name: 3-[(6-isopropyl-1,3-dimethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid CAS Name: 3-[(1,3-dimethyl-7-oxo-6-propan-2-yl-5-pyrazolo[4,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 3-[(1,3-dimethyl-7-oxo-6-propan-2-ylpyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid Traditional Name: 3-[(6-isopropyl-7-keto-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid Formula: C17H19N5O3 MolecularWeight: 341.36446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N(C2=O)C(C)C)NC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N(C2=O)C(C)C)NC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C17H19N5O3/c1-9(2)22-15(23)14-13(10(3)20-21(14)4)19-17(22)18-12-7-5-6-11(8-12)16(24)25/h5-9H,1-4H3,(H,18,19)(H,24,25)