1-[[4-[4-[4-azanyl-7,7-dimethyl-2-(trifluoromethyl)pyrimido[4,5-b][1,4]oxazin-6-yl]-2-chloranyl-phenyl]cyclohexyl]methyl]urea

Systemtic Name: 1-[[4-[4-[4-azanyl-7,7-dimethyl-2-(trifluoromethyl)pyrimido[4,5-b][1,4]oxazin-6-yl]-2-chloranyl-phenyl]cyclohexyl]methyl]urea Openeye Name: [4-[4-[4-amino-7,7-dimethyl-2-(trifluoromethyl)pyrimido[4,5-b][1,4]oxazin-6-yl]-2-chloro-phenyl]cyclohexyl]methylurea CAS Name: [4-[4-[4-amino-7,7-dimethyl-2-(trifluoromethyl)-6-pyrimido[4,5-b][1,4]oxazinyl]-2-chlorophenyl]cyclohexyl]methylurea IUPAC Name: [4-[4-[4-amino-7,7-dimethyl-2-(trifluoromethyl)pyrimido[4,5-b][1,4]oxazin-6-yl]-2-chlorophenyl]cyclohexyl]methylurea Traditional Name: [4-[4-[4-amino-7,7-dimethyl-2-(trifluoromethyl)pyrimido[4,5-b][1,4]oxazin-6-yl]-2-chloro-phenyl]cyclohexyl]methylurea Formula: C23H26ClF3N6O2 MolecularWeight: 510.93975

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NC2=C(N=C(N=C2O1)C(F)(F)F)N)C3=CC(=C(C=C3)C4CCC(CC4)CNC(=O)N)Cl)C

Isomeric SMILES

CC1(C(=NC2=C(N=C(N=C2O1)C(F)(F)F)N)C3=CC(=C(C=C3)C4CCC(CC4)CNC(=O)N)Cl)C

InChI

InChI=1S/C23H26ClF3N6O2/c1-22(2)17(31-16-18(28)32-20(23(25,26)27)33-19(16)35-22)13-7-8-14(15(24)9-13)12-5-3-11(4-6-12)10-30-21(29)34/h7-9,11-12H,3-6,10H2,1-2H3,(H2,28,32,33)(H3,29,30,34)