[[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-oxidanyl-phosphoryl]methylphosphonic acid

Systemtic Name: [[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-oxidanyl-phosphoryl]methylphosphonic acid Openeye Name: [[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-hydroxy-phosphoryl]methylphosphonic acid CAS Name: [[4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid IUPAC Name: [[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid Traditional Name: [[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-hydroxy-phosphoryl]methylphosphonic acid Formula: C17H19N3O7P2 MolecularWeight: 439.296182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)P(=O)(CP(=O)(O)O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)P(=O)(CP(=O)(O)O)O)OC

InChI

InChI=1S/C17H19N3O7P2/c1-26-15-7-13-14(8-16(15)27-2)18-9-19-17(13)20-11-3-5-12(6-4-11)28(21,22)10-29(23,24)25/h3-9H,10H2,1-2H3,(H,21,22)(H,18,19,20)(H2,23,24,25)