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Summary Geometry Related PDB entries

ZZ6

Summary

Name:	2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE
Formula:	C15 H12 Cl2 N4 O S
Formal charge:	0
Formula weight:	367.253 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	2-amino-4-(2,4-dichlorophenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
OpenEye OEToolkits	1.6.1	2-amino-4-(2,4-dichlorophenyl)-N-ethyl-thieno[5,4-d]pyrimidine-6-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc3ccc(c1nc(nc2sc(cc12)C(=O)NCC)N)c(Cl)c3
SMILES_CANONICAL	CACTVS	3.352	CCNC(=O)c1sc2nc(N)nc(c3ccc(Cl)cc3Cl)c2c1
SMILES	CACTVS	3.352	CCNC(=O)c1sc2nc(N)nc(c3ccc(Cl)cc3Cl)c2c1
SMILES_CANONICAL	OpenEye OEToolkits	1.6.1	CCNC(=O)c1cc2c(nc(nc2s1)N)c3ccc(cc3Cl)Cl
SMILES	OpenEye OEToolkits	1.6.1	CCNC(=O)c1cc2c(nc(nc2s1)N)c3ccc(cc3Cl)Cl
InChI	InChI	1.03	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)
InChIKey	InChI	1.03	YPEOXUOUTBMBCX-UHFFFAOYSA-N

248636

PDB entries from 2026-02-04

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