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Summary Geometry Related PDB entries

6TN

Summary

Name:	[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone
Formula:	C19 H23 N3 O4
Formal charge:	0
Formula weight:	357.404 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.5	[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C19H23N3O4/c1-4-26-19-20-9-12-10-22(6-5-15(12)21-19)18(25)14-7-13(11(2)3)16(23)8-17(14)24/h7-9,11,23-24H,4-6,10H2,1-3H3
InChIKey	InChI	1.03	BNTRGXQGSZZFCB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCOc1ncc2CN(CCc2n1)C(=O)c3cc(C(C)C)c(O)cc3O
SMILES	CACTVS	3.385	CCOc1ncc2CN(CCc2n1)C(=O)c3cc(C(C)C)c(O)cc3O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.5	CCOc1ncc2c(n1)CCN(C2)C(=O)c3cc(c(cc3O)O)C(C)C
SMILES	OpenEye OEToolkits	2.0.5	CCOc1ncc2c(n1)CCN(C2)C(=O)c3cc(c(cc3O)O)C(C)C

222415

건을2024-07-10부터공개중

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