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Summary Geometry Related PDB entries

YJ7

Summary

Name:	4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C16 H15 N5 O3
Formal charge:	0
Formula weight:	325.322 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
OpenEye OEToolkits	2.0.7	4-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1cc2NC(=O)CN(c3nc(C)nc4onc(C)c34)c2cc1
InChI	InChI	1.03	InChI=1S/C16H15N5O3/c1-8-14-15(17-9(2)18-16(14)24-20-8)21-7-13(22)19-11-6-10(23-3)4-5-12(11)21/h4-6H,7H2,1-3H3,(H,19,22)
InChIKey	InChI	1.03	ANFWBEUANIPNGV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc2N(CC(=O)Nc2c1)c3nc(C)nc4onc(C)c34
SMILES	CACTVS	3.385	COc1ccc2N(CC(=O)Nc2c1)c3nc(C)nc4onc(C)c34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c2c(nc(nc2on1)C)N3CC(=O)Nc4c3ccc(c4)OC
SMILES	OpenEye OEToolkits	2.0.7	Cc1c2c(nc(nc2on1)C)N3CC(=O)Nc4c3ccc(c4)OC

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