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0NK

Summary
Name:6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine
Formula:C16 H23 N3 O3
Formal charge:0
Formula weight:305.372 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine
OpenEye OEToolkits1.7.66,7,8-trimethoxy-N-pentan-3-yl-quinazolin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2c1c(cc(OC)c(OC)c1OC)c(nc2)NC(CC)CC
InChIInChI1.03InChI=1S/C16H23N3O3/c1-6-10(7-2)19-16-11-8-12(20-3)14(21-4)15(22-5)13(11)17-9-18-16/h8-10H,6-7H2,1-5H3,(H,17,18,19)
InChIKeyInChI1.03TVJPHOZGPOLRKC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CCC(CC)Nc1ncnc2c(OC)c(OC)c(OC)cc12
SMILESCACTVS3.370CCC(CC)Nc1ncnc2c(OC)c(OC)c(OC)cc12
SMILES_CANONICALOpenEye OEToolkits1.7.6CCC(CC)Nc1c2cc(c(c(c2ncn1)OC)OC)OC
SMILESOpenEye OEToolkits1.7.6CCC(CC)Nc1c2cc(c(c(c2ncn1)OC)OC)OC

217705

PDB entries from 2024-03-27

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