[2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]-6-phenyl-phenyl]phosphonic acid

Systemtic Name: [2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]-6-phenyl-phenyl]phosphonic acid Openeye Name: [2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]-6-phenyl-phenyl]phosphonic acid CAS Name: [2-[(5-ethyl-7-pyrazolo[1,5-a]pyrimidinyl)methylamino]-6-phenylphenyl]phosphonic acid IUPAC Name: [2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]-6-phenylphenyl]phosphonic acid Traditional Name: [2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)methylamino]-6-phenyl-phenyl]phosphonic acid Formula: C21H21N4O3P MolecularWeight: 408.390201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=NN2C(=C1)CNC3=CC=CC(=C3P(=O)(O)O)C4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=CC=NN2C(=C1)CNC3=CC=CC(=C3P(=O)(O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N4O3P/c1-2-16-13-17(25-20(24-16)11-12-23-25)14-22-19-10-6-9-18(21(19)29(26,27)28)15-7-4-3-5-8-15/h3-13,22H,2,14H2,1H3,(H2,26,27,28)