[3-[3-[4-[[6-[(3-chlorophenyl)carbonylamino]pyridin-3-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropylamino]-3-methyl-butyl] dihydrogen phosphate

Systemtic Name: [3-[3-[4-[[6-[(3-chlorophenyl)carbonylamino]pyridin-3-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropylamino]-3-methyl-butyl] dihydrogen phosphate Openeye Name: [3-[3-[4-[[6-[(3-chlorobenzoyl)amino]-3-pyridyl]amino]-6-methoxy-quinazolin-7-yl]oxypropylamino]-3-methyl-butyl] dihydrogen phosphate CAS Name: [3-[3-[[4-[[6-[[(3-chlorophenyl)-oxomethyl]amino]-3-pyridinyl]amino]-6-methoxy-7-quinazolinyl]oxy]propylamino]-3-methylbutyl] dihydrogen phosphate IUPAC Name: [3-[3-[4-[[6-[(3-chlorobenzoyl)amino]pyridin-3-yl]amino]-6-methoxyquinazolin-7-yl]oxypropylamino]-3-methylbutyl] dihydrogen phosphate Traditional Name: [3-[3-[4-[[6-[(3-chlorobenzoyl)amino]-3-pyridyl]amino]-6-methoxy-quinazolin-7-yl]oxypropylamino]-3-methyl-butyl] dihydrogen phosphate Formula: C29H34ClN6O7P MolecularWeight: 645.043021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOP(=O)(O)O)NCCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CN=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)OC

Isomeric SMILES

CC(C)(CCOP(=O)(O)O)NCCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CN=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)OC

InChI

InChI=1S/C29H34ClN6O7P/c1-29(2,10-13-43-44(38,39)40)34-11-5-12-42-25-16-23-22(15-24(25)41-3)27(33-18-32-23)35-21-8-9-26(31-17-21)36-28(37)19-6-4-7-20(30)14-19/h4,6-9,14-18,34H,5,10-13H2,1-3H3,(H,31,36,37)(H,32,33,35)(H2,38,39,40)