5-(2-azanylquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methyl-amino]-5-ethynyl-phenyl]-2-fluoranyl-benzamide

Systemtic Name: 5-(2-azanylquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methyl-amino]-5-ethynyl-phenyl]-2-fluoranyl-benzamide Openeye Name: 5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methyl-amino]-5-ethynyl-phenyl]-2-fluoro-benzamide CAS Name: 5-(2-amino-6-quinazolinyl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-ethynylphenyl]-2-fluorobenzamide IUPAC Name: 5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-ethynylphenyl]-2-fluorobenzamide Traditional Name: 5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methyl-amino]-5-ethynyl-phenyl]-2-fluoro-benzamide Formula: C29H29FN6O MolecularWeight: 496.578563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C)C1=C(C=C(C=C1)C#C)NC(=O)C2=C(C=CC(=C2)C3=CC4=CN=C(N=C4C=C3)N)F

Isomeric SMILES

CN(C)CCCN(C)C1=C(C=C(C=C1)C#C)NC(=O)C2=C(C=CC(=C2)C3=CC4=CN=C(N=C4C=C3)N)F

InChI

InChI=1S/C29H29FN6O/c1-5-19-7-12-27(36(4)14-6-13-35(2)3)26(15-19)33-28(37)23-17-21(8-10-24(23)30)20-9-11-25-22(16-20)18-32-29(31)34-25/h1,7-12,15-18H,6,13-14H2,2-4H3,(H,33,37)(H2,31,32,34)