1-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]propylphosphonic acid

Systemtic Name: 1-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]propylphosphonic acid Openeye Name: 1-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]propylphosphonic acid CAS Name: 1-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]propylphosphonic acid IUPAC Name: 1-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]propylphosphonic acid Traditional Name: 1-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]propylphosphonic acid Formula: C23H25N4O5P MolecularWeight: 468.442161

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)C)P(=O)(O)O

Isomeric SMILES

CCC(NC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)C)P(=O)(O)O

InChI

InChI=1S/C23H25N4O5P/c1-4-12-27(14-16-6-11-20-19(13-16)23(29)25-15(3)24-20)18-9-7-17(8-10-18)22(28)26-21(5-2)33(30,31)32/h1,6-11,13,21H,5,12,14H2,2-3H3,(H,26,28)(H,24,25,29)(H2,30,31,32)