[4-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)phenyl]methylphosphonic acid

Systemtic Name: [4-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)phenyl]methylphosphonic acid Openeye Name: [4-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)phenyl]methylphosphonic acid CAS Name: [4-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)phenyl]methylphosphonic acid IUPAC Name: [4-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)phenyl]methylphosphonic acid Traditional Name: [4-(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)benzyl]phosphonic acid Formula: C17H17N2O6P MolecularWeight: 376.300441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N2O6P/c1-24-14-7-12-13(8-15(14)25-2)18-16(19-17(12)20)11-5-3-10(4-6-11)9-26(21,22)23/h3-8H,9H2,1-2H3,(H,18,19,20)(H2,21,22,23)