1-[(3-bromophenyl)amino]propa-1,2-dienyl-N-quinazolin-6-yl-phosphonamidic acid

Systemtic Name: 1-[(3-bromophenyl)amino]propa-1,2-dienyl-N-quinazolin-6-yl-phosphonamidic acid Openeye Name: 1-(3-bromoanilino)propa-1,2-dienyl-N-quinazolin-6-yl-phosphonamidic acid CAS Name: 1-(3-bromoanilino)propa-1,2-dienyl-N-(6-quinazolinyl)phosphonamidic acid IUPAC Name: 1-(3-bromoanilino)propa-1,2-dienyl-N-quinazolin-6-ylphosphonamidic acid Traditional Name: 1-(3-bromoanilino)propa-1,2-dienyl-N-quinazolin-6-yl-phosphonamidic acid Formula: C17H14BrN4O2P MolecularWeight: 417.196421

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Descriptors Computed from Structure

Canonical SMILES:

C=C=C(NC1=CC(=CC=C1)Br)P(=O)(NC2=CC3=CN=CN=C3C=C2)O

Isomeric SMILES

C=C=C(NC1=CC(=CC=C1)Br)P(=O)(NC2=CC3=CN=CN=C3C=C2)O

InChI

InChI=1S/C17H14BrN4O2P/c1-2-17(21-14-5-3-4-13(18)9-14)25(23,24)22-15-6-7-16-12(8-15)10-19-11-20-16/h3-11,21H,1H2,(H2,22,23,24)