N-(1-dimethoxyphosphoryl-2,2-dimethyl-propyl)-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide

Systemtic Name: N-(1-dimethoxyphosphoryl-2,2-dimethyl-propyl)-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-(1-dimethoxyphosphoryl-2,2-dimethyl-propyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-(1-dimethoxyphosphoryl-2,2-dimethylpropyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-(1-dimethoxyphosphoryl-2,2-dimethylpropyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-(1-dimethoxyphosphoryl-2,2-dimethyl-propyl)-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C27H33N4O5P MolecularWeight: 524.548481

Click to see the large picture

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(C(C)(C)C)P(=O)(OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H33N4O5P/c1-8-15-31(17-19-9-14-23-22(16-19)25(33)29-18(2)28-23)21-12-10-20(11-13-21)24(32)30-26(27(3,4)5)37(34,35-6)36-7/h1,9-14,16,26H,15,17H2,2-7H3,(H,30,32)(H,28,29,33)