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SummaryGeometryRelated PDB entries

5T8

Summary
Name:(5~{R})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
Formula:C20 H19 Cl N4 O
Formal charge:0
Formula weight:366.844 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.4(5~{R})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H19ClN4O/c1-20(12-26-11-18(22)25-20)14-5-3-6-16(9-14)24-17-7-2-4-13-8-15(21)10-23-19(13)17/h2-10,24H,11-12H2,1H3,(H2,22,25)/t20-/m0/s1
InChIKeyInChI1.03MISZEAYFRRVHET-FQEVSTJZSA-N
SMILES_CANONICALCACTVS3.385C[C@]1(COCC(=N1)N)c2cccc(Nc3cccc4cc(Cl)cnc34)c2
SMILESCACTVS3.385C[C]1(COCC(=N1)N)c2cccc(Nc3cccc4cc(Cl)cnc34)c2
SMILES_CANONICALOpenEye OEToolkits2.0.4C[C@]1(COCC(=N1)N)c2cccc(c2)Nc3cccc4c3ncc(c4)Cl
SMILESOpenEye OEToolkits2.0.4CC1(COCC(=N1)N)c2cccc(c2)Nc3cccc4c3ncc(c4)Cl

222415

數據於2024-07-10公開中

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