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Summary Geometry Related PDB entries

JVI

Summary

Name:	4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C18 H21 N5 O2
Formal charge:	0
Formula weight:	339.392 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
OpenEye OEToolkits	2.0.7	4-[2-(ethylamino)-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCNc1nc2CCCc2c(n1)N1CC(=O)Nc2cc(ccc21)OC
InChI	InChI	1.03	InChI=1S/C18H21N5O2/c1-3-19-18-21-13-6-4-5-12(13)17(22-18)23-10-16(24)20-14-9-11(25-2)7-8-15(14)23/h7-9H,3-6,10H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKey	InChI	1.03	CQVSFRQJOZPSGM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCNc1nc2CCCc2c(n1)N3CC(=O)Nc4cc(OC)ccc34
SMILES	CACTVS	3.385	CCNc1nc2CCCc2c(n1)N3CC(=O)Nc4cc(OC)ccc34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCNc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)OC)CCC2
SMILES	OpenEye OEToolkits	2.0.7	CCNc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)OC)CCC2

222415

数据于2024-07-10公开中

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