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

Systemtic Name: N-(1-diethoxyphosphoryl-2-methyl-propyl)-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-(1-diethoxyphosphoryl-2-methyl-propyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-(1-diethoxyphosphoryl-2-methylpropyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-(1-diethoxyphosphoryl-2-methylpropyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-(1-diethoxyphosphoryl-2-methyl-propyl)-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C28H35N4O5P MolecularWeight: 538.575061

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(C)C)NC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)C)OCC

Isomeric SMILES

CCOP(=O)(C(C(C)C)NC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)C)OCC

InChI

InChI=1S/C28H35N4O5P/c1-7-16-32(18-21-10-15-25-24(17-21)27(34)30-20(6)29-25)23-13-11-22(12-14-23)26(33)31-28(19(4)5)38(35,36-8-2)37-9-3/h1,10-15,17,19,28H,8-9,16,18H2,2-6H3,(H,31,33)(H,29,30,34)