[(isoquinolin-1-ylamino)-phosphono-methyl]phosphonic acid

Systemtic Name: [(isoquinolin-1-ylamino)-phosphono-methyl]phosphonic acid Openeye Name: [(1-isoquinolylamino)-phosphono-methyl]phosphonic acid CAS Name: [(1-isoquinolinylamino)-phosphonomethyl]phosphonic acid IUPAC Name: [(isoquinolin-1-ylamino)-phosphonomethyl]phosphonic acid Traditional Name: [(1-isoquinolylamino)-phosphono-methyl]phosphonic acid Formula: C10H12N2O6P2 MolecularWeight: 318.159602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H12N2O6P2/c13-19(14,15)10(20(16,17)18)12-9-8-4-2-1-3-7(8)5-6-11-9/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18)