[(4aR,8aS)-4-(4-Amino-6,7-Dimethoxyquinazolin-2-Yl)-2,3,4a,5,6,7,8,8a-Octahydroquinoxalin-1-Yl]-Furan-2-Ylmethanone
[CAS# 139953-73-4]

Identification

• Name: [(4aR,8aS)-4-(4-Amino-6,7-Dimethoxyquinazolin-2-Yl)-2,3,4a,5,6,7,8,8a-Octahydroquinoxalin-1-Yl]-Furan-2-Ylmethanone
• Synonyms: [(4Ar,8As)-4-(4-Amino-6,7-Dimethoxy-Quinazolin-2-Yl)-2,3,4A,5,6,7,8,8A-Octahydroquinoxalin-1-Yl]-(2-Furyl)Methanone; [(4Ar,8As)-4-(4-Amino-6,7-Dimethoxy-2-Quinazolinyl)-2,3,4A,5,6,7,8,8A-Octahydroquinoxalin-1-Yl]-(2-Furyl)Methanone; [(4Ar,8As)-4-(4-Amino-6,7-Dimethoxy-Quinazolin-2-Yl)-2,3,4A,5,6,7,8,8A-Octahydroquinoxalin-1-Yl]-Furan-2-Yl-Methanone
• Molecular Formula: C₂₃H₂₇N₅O₄
• Molecular Weight: 437.50
• CAS Registry Number: 139953-73-4
• SMILES: [C@@H]12N(CCN([C@@H]1CCCC2)C4=NC(=C3C=C(C(=CC3=N4)OC)OC)N)C(=O)C5=CC=CO5
• InChI: 1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1
• InChIKey: XBRXTUGRUXGBPX-DLBZAZTESA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 674.469°C at 760 mmHg (Cal.)
• Flash point: 361.706°C (Cal.)