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Summary Geometry Related PDB entries

A1IR8

Summary

Name:	2-[[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]amino]-5-ethyl-8-phenyl-pyrido[2,3-d]pyrimidin-7-one
Formula:	C26 H30 N6 O
Formal charge:	0
Formula weight:	442.556 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-ethyl-8-phenyl-pyrido[2,3-d]pyrimidin-7-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C26H30N6O/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/h6-14,17-18H,5,15-16H2,1-4H3,(H,27,28,29)
InChIKey	InChI	1.06	HEAICLUQPDPZTR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCC1=CC(=O)N(c2ccccc2)c3nc(Nc4ccc(cc4)N(C)CCN(C)C)ncc13
SMILES	CACTVS	3.385	CCC1=CC(=O)N(c2ccccc2)c3nc(Nc4ccc(cc4)N(C)CCN(C)C)ncc13
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCC1=CC(=O)N(c2c1cnc(n2)Nc3ccc(cc3)N(C)CCN(C)C)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	CCC1=CC(=O)N(c2c1cnc(n2)Nc3ccc(cc3)N(C)CCN(C)C)c4ccccc4

248335

PDB entries from 2026-01-28

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