ZZ6

2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE

Created: 2009-05-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count37
Aromatic Bond Count17
2D diagram of ZZ6
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Chemical Component Summary

Name2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE
Systematic Name (OpenEye OEToolkits)2-amino-4-(2,4-dichlorophenyl)-N-ethyl-thieno[5,4-d]pyrimidine-6-carboxamide
FormulaC15 H12 Cl2 N4 O S
Molecular Weight367.253
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Clc3ccc(c1nc(nc2sc(cc12)C(=O)NCC)N)c(Cl)c3
SMILESCACTVS3.352CCNC(=O)c1sc2nc(N)nc(c3ccc(Cl)cc3Cl)c2c1
SMILESOpenEye OEToolkits1.6.1CCNC(=O)c1cc2c(nc(nc2s1)N)c3ccc(cc3Cl)Cl
Canonical SMILESCACTVS3.352 CCNC(=O)c1sc2nc(N)nc(c3ccc(Cl)cc3Cl)c2c1
Canonical SMILESOpenEye OEToolkits1.6.1 CCNC(=O)c1cc2c(nc(nc2s1)N)c3ccc(cc3Cl)Cl
InChIInChI1.03 InChI=1S/C15H12Cl2N4OS/c1-2-19-13(22)11-6-9-12(20-15(18)21-14(9)23-11)8-4-3-7(16)5-10(8)17/h3-6H,2H2,1H3,(H,19,22)(H2,18,20,21)
InChIKeyInChI1.03 YPEOXUOUTBMBCX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB08789 
Name2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE
Groups experimental
Synonyms2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE

Drug Targets

NameTarget SequencePharmacological ActionActions
Heat shock protein HSP 90-alphaMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELIS...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL563168
PubChem 44129601
ChEMBL CHEMBL563168