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PFH

Summary
Name:6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE
Formula:C24 H23 N3 O3
Formal charge:0
Formula weight:401.458 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046,7-dimethoxy-4-[(3R)-3-(naphthalen-2-yloxy)pyrrolidin-1-yl]quinazoline
OpenEye OEToolkits1.5.06,7-dimethoxy-4-[(1S,3R)-3-naphthalen-2-yloxypyrrolidin-1-yl]quinazoline

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n1cnc(c2cc(OC)c(OC)cc12)N5CCC(Oc4cc3ccccc3cc4)C5
SMILES_CANONICALCACTVS3.341COc1cc2ncnc(N3CC[C@H](C3)Oc4ccc5ccccc5c4)c2cc1OC
SMILESCACTVS3.341COc1cc2ncnc(N3CC[CH](C3)Oc4ccc5ccccc5c4)c2cc1OC
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1cc2c(cc1OC)ncnc2[N@]3CC[C@H](C3)Oc4ccc5ccccc5c4
SMILESOpenEye OEToolkits1.5.0COc1cc2c(cc1OC)ncnc2N3CCC(C3)Oc4ccc5ccccc5c4
InChIInChI1.03InChI=1S/C24H23N3O3/c1-28-22-12-20-21(13-23(22)29-2)25-15-26-24(20)27-10-9-19(14-27)30-18-8-7-16-5-3-4-6-17(16)11-18/h3-8,11-13,15,19H,9-10,14H2,1-2H3/t19-/m1/s1
InChIKeyInChI1.03UPTQSRGSSJRBKJ-LJQANCHMSA-N

222415

数据于2024-07-10公开中

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