N-(1-dimethoxyphosphoryl-3-methyl-butyl)-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide

Systemtic Name: N-(1-dimethoxyphosphoryl-3-methyl-butyl)-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-(1-dimethoxyphosphoryl-3-methyl-butyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-(1-dimethoxyphosphoryl-3-methylbutyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-(1-dimethoxyphosphoryl-3-methylbutyl)-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-(1-dimethoxyphosphoryl-3-methyl-butyl)-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C27H33N4O5P MolecularWeight: 524.548481

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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)(OC)OC

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)(OC)OC

InChI

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