FSS

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Summary

Name:3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Formula:C24 H26 Cl2 N6 O2
Formal charge:0
Molecular weight:501.408 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
OpenEye OEToolkits1.5.03-(2,6-dichlorophenyl)-7-[[4-(diethylaminomethoxy)phenyl]amino]-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc4cccc(Cl)c4N2C(=O)N(c1nc(ncc1C2)Nc3ccc(OCN(CC)CC)cc3)C
SMILES_CANONICALCACTVS3.341CCN(CC)COc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)cc1
SMILESCACTVS3.341CCN(CC)COc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0CCN(CC)COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C
SMILESOpenEye OEToolkits1.5.0CCN(CC)COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C
InChIInChI1.03InChI=1S/C24H26Cl2N6O2/c1-4-31(5-2)15-34-18-11-9-17(10-12-18)28-23-27-13-16-14-32(24(33)30(3)22(16)29-23)21-19(25)7-6-8-20(21)26/h6-13H,4-5,14-15H2,1-3H3,(H,27,28,29)
InChIKeyInChI1.03MROKTXFTKSWSMO-UHFFFAOYSA-N