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Summary Geometry Related PDB entries

E9Y

Summary

Name:	1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
Formula:	C17 H18 N4 O2
Formal charge:	0
Formula weight:	310.35 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
OpenEye OEToolkits	2.0.6	4-(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc4c(cc1OC)CCCN4c2c3c(nc(C)n2)onc3C
InChI	InChI	1.03	InChI=1S/C17H18N4O2/c1-10-15-16(18-11(2)19-17(15)23-20-10)21-8-4-5-12-9-13(22-3)6-7-14(12)21/h6-7,9H,4-5,8H2,1-3H3
InChIKey	InChI	1.03	CCPOZSSQYAHSEH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc2N(CCCc2c1)c3nc(C)nc4onc(C)c34
SMILES	CACTVS	3.385	COc1ccc2N(CCCc2c1)c3nc(C)nc4onc(C)c34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1c2c(nc(nc2on1)C)N3CCCc4c3ccc(c4)OC
SMILES	OpenEye OEToolkits	2.0.6	Cc1c2c(nc(nc2on1)C)N3CCCc4c3ccc(c4)OC

222415

數據於2024-07-10公開中

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