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Summary Geometry Related PDB entries

PFP

Summary

Name:	2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL
Formula:	C22 H21 N3 O4
Formal charge:	0
Formula weight:	391.42 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	2-{[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino}ethanol
OpenEye OEToolkits	1.5.0	2-[[5,6-bis(4-methoxyphenyl)furo[3,2-e]pyrimidin-4-yl]amino]ethanol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(c2c(nc1)oc(c2c3ccc(OC)cc3)c4ccc(OC)cc4)NCCO
SMILES_CANONICAL	CACTVS	3.341	COc1ccc(cc1)c2oc3ncnc(NCCO)c3c2c4ccc(OC)cc4
SMILES	CACTVS	3.341	COc1ccc(cc1)c2oc3ncnc(NCCO)c3c2c4ccc(OC)cc4
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)c2c3c(ncnc3oc2c4ccc(cc4)OC)NCCO
SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)c2c3c(ncnc3oc2c4ccc(cc4)OC)NCCO
InChI	InChI	1.03	InChI=1S/C22H21N3O4/c1-27-16-7-3-14(4-8-16)18-19-21(23-11-12-26)24-13-25-22(19)29-20(18)15-5-9-17(28-2)10-6-15/h3-10,13,26H,11-12H2,1-2H3,(H,23,24,25)
InChIKey	InChI	1.03	ARBUGBBNEFAECO-UHFFFAOYSA-N

222415

數據於2024-07-10公開中

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