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Summary Geometry Related PDB entries

A1JLU

Summary

Name:	2-[[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]amino]-5-ethenyl-8-phenyl-pyrido[2,3-d]pyrimidin-7-one
Formula:	C26 H28 N6 O
Formal charge:	0
Formula weight:	440.54 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-[[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]amino]-5-ethenyl-8-phenyl-pyrido[2,3-d]pyrimidin-7-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C26H28N6O/c1-5-19-17-24(33)32(22-9-7-6-8-10-22)25-23(19)18-27-26(29-25)28-20-11-13-21(14-12-20)31(4)16-15-30(2)3/h5-14,17-18H,1,15-16H2,2-4H3,(H,27,28,29)
InChIKey	InChI	1.06	ULJXSBARTUIQRJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)CCN(C)c1ccc(Nc2ncc3C(=CC(=O)N(c4ccccc4)c3n2)C=C)cc1
SMILES	CACTVS	3.385	CN(C)CCN(C)c1ccc(Nc2ncc3C(=CC(=O)N(c4ccccc4)c3n2)C=C)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN(C)CCN(C)c1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C=C3C=C)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	CN(C)CCN(C)c1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C=C3C=C)c4ccccc4

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PDB entries from 2026-01-28

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