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Summary Geometry Related PDB entries

YJ4

Summary

Name:	4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C18 H18 N6 O2
Formal charge:	0
Formula weight:	350.375 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
OpenEye OEToolkits	2.0.7	4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCNc1nc2cccnc2c(n1)N1CC(=O)Nc2cc(ccc21)OC
InChI	InChI	1.03	InChI=1S/C18H18N6O2/c1-3-19-18-22-12-5-4-8-20-16(12)17(23-18)24-10-15(25)21-13-9-11(26-2)6-7-14(13)24/h4-9H,3,10H2,1-2H3,(H,21,25)(H,19,22,23)
InChIKey	InChI	1.03	FLLCARSUVGNNTL-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCNc1nc2cccnc2c(n1)N3CC(=O)Nc4cc(OC)ccc34
SMILES	CACTVS	3.385	CCNc1nc2cccnc2c(n1)N3CC(=O)Nc4cc(OC)ccc34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCNc1nc2cccnc2c(n1)N3CC(=O)Nc4c3ccc(c4)OC
SMILES	OpenEye OEToolkits	2.0.7	CCNc1nc2cccnc2c(n1)N3CC(=O)Nc4c3ccc(c4)OC

223532

PDB entries from 2024-08-07

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