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

Systemtic Name: N-(1-dimethoxyphosphorylbutyl)-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-(1-dimethoxyphosphorylbutyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-(1-dimethoxyphosphorylbutyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-(1-dimethoxyphosphorylbutyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-(1-dimethoxyphosphorylbutyl)-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C26H31N4O5P MolecularWeight: 510.521901

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(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

CCCC(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/C26H31N4O5P/c1-6-8-24(36(33,34-4)35-5)29-25(31)20-10-12-21(13-11-20)30(15-7-2)17-19-9-14-23-22(16-19)26(32)28-18(3)27-23/h2,9-14,16,24H,6,8,15,17H2,1,3-5H3,(H,29,31)(H,27,28,32)