[3-(3-cyano-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(3-cyano-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(3-cyano-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [3-(3-cyano-5-methyl-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(3-cyano-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(3-cyano-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid Formula: C17H18N4O6P2 MolecularWeight: 436.295542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)CCC(P(=O)(O)O)P(=O)(O)O)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)CCC(P(=O)(O)O)P(=O)(O)O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C17H18N4O6P2/c1-11-9-13(7-8-15(28(22,23)24)29(25,26)27)21-17(19-11)14(10-18)16(20-21)12-5-3-2-4-6-12/h2-6,9,15H,7-8H2,1H3,(H2,22,23,24)(H2,25,26,27)