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

Systemtic Name: [3-methyl-1-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]butyl]phosphonic acid Openeye Name: [3-methyl-1-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]butyl]phosphonic acid CAS Name: [3-methyl-1-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]butyl]phosphonic acid IUPAC Name: [3-methyl-1-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butyl]phosphonic acid Traditional Name: [1-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]-3-methyl-butyl]phosphonic acid Formula: C25H29N4O5P MolecularWeight: 496.495321

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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(CC(C)C)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(CC(C)C)P(=O)(O)O

InChI

InChI=1S/C25H29N4O5P/c1-5-12-29(15-18-6-11-22-21(14-18)25(31)27-17(4)26-22)20-9-7-19(8-10-20)24(30)28-23(13-16(2)3)35(32,33)34/h1,6-11,14,16,23H,12-13,15H2,2-4H3,(H,28,30)(H,26,27,31)(H2,32,33,34)