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

Systemtic Name: [[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-phenyl-methyl]phosphonic acid Openeye Name: [[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]-phenyl-methyl]phosphonic acid CAS Name: [[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]-phenylmethyl]phosphonic acid IUPAC Name: [[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-phenylmethyl]phosphonic acid Traditional Name: [[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]-phenyl-methyl]phosphonic acid Formula: C27H25N4O5P MolecularWeight: 516.484961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(C4=CC=CC=C4)P(=O)(O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(C4=CC=CC=C4)P(=O)(O)O

InChI

InChI=1S/C27H25N4O5P/c1-3-15-31(17-19-9-14-24-23(16-19)26(33)29-18(2)28-24)22-12-10-20(11-13-22)25(32)30-27(37(34,35)36)21-7-5-4-6-8-21/h1,4-14,16,27H,15,17H2,2H3,(H,30,32)(H,28,29,33)(H2,34,35,36)