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Summary Geometry Related PDB entries

EKI

Summary

Name:	7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
Formula:	C13 H15 N5 O3
Formal charge:	0
Formula weight:	289.29 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
OpenEye OEToolkits	2.0.7	7-azanyl-1-cyclopropyl-3-ethyl-2,4-bis(oxidanylidene)pyrido[2,3-d]pyrimidine-6-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(=O)c1cc2c(nc1N)N(C(=O)N(CC)C2=O)C1CC1
InChI	InChI	1.06	InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19)
InChIKey	InChI	1.06	HWODCHXORCTEGU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCN1C(=O)N(C2CC2)c3nc(N)c(cc3C1=O)C(N)=O
SMILES	CACTVS	3.385	CCN1C(=O)N(C2CC2)c3nc(N)c(cc3C1=O)C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCN1C(=O)c2cc(c(nc2N(C1=O)C3CC3)N)C(=O)N
SMILES	OpenEye OEToolkits	2.0.7	CCN1C(=O)c2cc(c(nc2N(C1=O)C3CC3)N)C(=O)N

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