N-(1-dimethoxyphosphorylpropyl)-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide

Systemtic Name: N-(1-dimethoxyphosphorylpropyl)-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-(1-dimethoxyphosphorylpropyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-(1-dimethoxyphosphorylpropyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-(1-dimethoxyphosphorylpropyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-(1-dimethoxyphosphorylpropyl)-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C25H29N4O5P MolecularWeight: 496.495321

Click to see the large picture

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)(OC)OC

Isomeric SMILES

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

InChI

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