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

Systemtic Name: 1-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]butylphosphonic acid Openeye Name: 1-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]butylphosphonic acid CAS Name: 1-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]butylphosphonic acid IUPAC Name: 1-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butylphosphonic acid Traditional Name: 1-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]butylphosphonic acid Formula: C24H27N4O5P MolecularWeight: 482.468741

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(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

CCCC(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/C24H27N4O5P/c1-4-6-22(34(31,32)33)27-23(29)18-8-10-19(11-9-18)28(13-5-2)15-17-7-12-21-20(14-17)24(30)26-16(3)25-21/h2,7-12,14,22H,4,6,13,15H2,1,3H3,(H,27,29)(H,25,26,30)(H2,31,32,33)