ethyl 5-[[[(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]amino]methyl]furan-2-carboxylate

Systemtic Name: ethyl 5-[[[(4S)-1-(6-fluoranyl-4-methyl-quinazolin-2-yl)azepan-4-yl]amino]methyl]furan-2-carboxylate Openeye Name: ethyl 5-[[[(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]amino]methyl]furan-2-carboxylate CAS Name: 5-[[[(4S)-1-(6-fluoro-4-methyl-2-quinazolinyl)-4-azepanyl]amino]methyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[[(4S)-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-yl]amino]methyl]furan-2-carboxylate Traditional Name: 5-[[[(4S)-1-(6-fluoro-4-methyl-quinazolin-2-yl)azepan-4-yl]amino]methyl]furan-2-carboxylic acid ethyl ester Formula: C23H27FN4O3 MolecularWeight: 426.483883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CNC2CCCN(CC2)C3=NC4=C(C=C(C=C4)F)C(=N3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CN[C@H]2CCCN(CC2)C3=NC4=C(C=C(C=C4)F)C(=N3)C

InChI

InChI=1S/C23H27FN4O3/c1-3-30-22(29)21-9-7-18(31-21)14-25-17-5-4-11-28(12-10-17)23-26-15(2)19-13-16(24)6-8-20(19)27-23/h6-9,13,17,25H,3-5,10-12,14H2,1-2H3/t17-/m0/s1