Molecular Structure of trans-4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-beta][1,4]oxazin-6-yl)phenyl]cyclohexaneacetic acid (CAS NO.701232-20-4):

Systematic Name: 2-[4-[4-(4-Amino-7,7-dimethyl-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid 
Molecular Formula: C₂₂H₂₆N₄O₃
Molecular Weight: 394.47 
H bond acceptors: 7
H bond donors: 3
Freely Rotating Bonds: 4
Index of Refraction: 1.673
Molar Refractivity: 108.07 cm³
Molar Volume: 288 cm³
Surface Tension: 54.1 dyne/cm
Density: 1.36 g/cm³
Flash Point: 326.7 °C
Enthalpy of Vaporization: 96.15 kJ/mol
Boiling Point: 616.6 °C at 760 mmHg
Vapour Pressure: 4.62E-16 mmHg at 25 °C
SMILES: CC1(C(=Nc2c(ncnc2O1)N)c3ccc(cc3)C4CCC(CC4)CC(=O)O)C
InChI: InChI=1/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-
InChIKey: FUIYMYNYUHVDPT-HDJSIYSDBR

 trans-4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-beta][1,4]oxazin-6-yl)phenyl]cyclohexaneacetic acid (CAS NO.701232-20-4), its Synonyms are DGAT-3 ; Cyclohexaneacetic acid, 4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-beta][1,4]oxazin-6-yl)phenyl]-, trans- .