N-[3-(dimethylaminomethyl)-4-morpholin-4-yl-phenyl]-6-ethynyl-quinazolin-2-amine

Systemtic Name: N-[3-(dimethylaminomethyl)-4-morpholin-4-yl-phenyl]-6-ethynyl-quinazolin-2-amine Openeye Name: N-[3-(dimethylaminomethyl)-4-morpholino-phenyl]-6-ethynyl-quinazolin-2-amine CAS Name: N-[3-(dimethylaminomethyl)-4-(4-morpholinyl)phenyl]-6-ethynyl-2-quinazolinamine IUPAC Name: N-[3-(dimethylaminomethyl)-4-morpholin-4-ylphenyl]-6-ethynylquinazolin-2-amine Traditional Name: [5-[(6-ethynylquinazolin-2-yl)amino]-2-morpholino-benzyl]-dimethyl-amine Formula: C23H25N5O MolecularWeight: 387.4775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC(=C1)NC2=NC=C3C=C(C=CC3=N2)C#C)N4CCOCC4

Isomeric SMILES

CN(C)CC1=C(C=CC(=C1)NC2=NC=C3C=C(C=CC3=N2)C#C)N4CCOCC4

InChI

InChI=1S/C23H25N5O/c1-4-17-5-7-21-18(13-17)15-24-23(26-21)25-20-6-8-22(19(14-20)16-27(2)3)28-9-11-29-12-10-28/h1,5-8,13-15H,9-12,16H2,2-3H3,(H,24,25,26)