[4-(6,7-dimethoxy-4-prop-2-enoxy-quinazolin-2-yl)phenyl]methylphosphonic acid

Systemtic Name: [4-(6,7-dimethoxy-4-prop-2-enoxy-quinazolin-2-yl)phenyl]methylphosphonic acid Openeye Name: [4-(4-allyloxy-6,7-dimethoxy-quinazolin-2-yl)phenyl]methylphosphonic acid CAS Name: [4-(6,7-dimethoxy-4-prop-2-enoxy-2-quinazolinyl)phenyl]methylphosphonic acid IUPAC Name: [4-(6,7-dimethoxy-4-prop-2-enoxyquinazolin-2-yl)phenyl]methylphosphonic acid Traditional Name: [4-(4-allyloxy-6,7-dimethoxy-quinazolin-2-yl)benzyl]phosphonic acid Formula: C20H21N2O6P MolecularWeight: 416.364301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N2O6P/c1-4-9-28-20-15-10-17(26-2)18(27-3)11-16(15)21-19(22-20)14-7-5-13(6-8-14)12-29(23,24)25/h4-8,10-11H,1,9,12H2,2-3H3,(H2,23,24,25)