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Summary Geometry Related PDB entries

A1EQ6

Summary

Name:	9-[(1R)-1-[[3,5-bis(chloranyl)phenyl]amino]ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidine-7-carboxamide
Formula:	C23 H25 Cl2 N5 O3
Formal charge:	0
Formula weight:	490.382 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	9-[(1~{R})-1-[[3,5-bis(chloranyl)phenyl]amino]ethyl]-~{N},~{N}-dimethyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidine-7-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H25Cl2N5O3/c1-14(26-18-10-16(24)9-17(25)11-18)19-8-15(23(32)28(2)3)13-30-21(31)12-20(27-22(19)30)29-4-6-33-7-5-29/h8-14,26H,4-7H2,1-3H3/t14-/m1/s1
InChIKey	InChI	1.06	QZKCVHOIIJQUKQ-CQSZACIVSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](Nc1cc(Cl)cc(Cl)c1)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C(=O)N(C)C
SMILES	CACTVS	3.385	C[CH](Nc1cc(Cl)cc(Cl)c1)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C(=O)N(C)C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@H](C1=CC(=CN2C1=NC(=CC2=O)N3CCOCC3)C(=O)N(C)C)Nc4cc(cc(c4)Cl)Cl
SMILES	OpenEye OEToolkits	2.0.7	CC(C1=CC(=CN2C1=NC(=CC2=O)N3CCOCC3)C(=O)N(C)C)Nc4cc(cc(c4)Cl)Cl

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PDB entries from 2026-06-24

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