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S2W

Summary
Name:~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine
Formula:C18 H17 F3 N4
Formal charge:0
Formula weight:346.35 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H17F3N4/c1-10(12-7-13(18(19,20)21)9-14(22)8-12)23-17-15-5-3-4-6-16(15)24-11(2)25-17/h3-10H,22H2,1-2H3,(H,23,24,25)/t10-/m1/s1
InChIKeyInChI1.03CVDHTLSRRHNJAW-SNVBAGLBSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](Nc1nc(C)nc2ccccc12)c3cc(N)cc(c3)C(F)(F)F
SMILESCACTVS3.385C[CH](Nc1nc(C)nc2ccccc12)c3cc(N)cc(c3)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1nc2ccccc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7Cc1nc2ccccc2c(n1)NC(C)c3cc(cc(c3)N)C(F)(F)F

223532

PDB entries from 2024-08-07

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