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Summary

Name:	4-[2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)PYRIDIN-3-YL]BENZAMIDE
Formula:	C18 H15 N3 O3 S
Formal charge:	0
Formula weight:	353.395 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	4-[2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridin-3-yl]benzamide
OpenEye OEToolkits	1.6.1	4-[2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridin-3-yl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(N)c1ccc(cc1)c4cc(c2scc3OCCOc23)cnc4N
SMILES_CANONICAL	CACTVS	3.352	NC(=O)c1ccc(cc1)c2cc(cnc2N)c3scc4OCCOc34
SMILES	CACTVS	3.352	NC(=O)c1ccc(cc1)c2cc(cnc2N)c3scc4OCCOc34
SMILES_CANONICAL	OpenEye OEToolkits	1.6.1	c1cc(ccc1c2cc(cnc2N)c3c4c(cs3)OCCO4)C(=O)N
SMILES	OpenEye OEToolkits	1.6.1	c1cc(ccc1c2cc(cnc2N)c3c4c(cs3)OCCO4)C(=O)N
InChI	InChI	1.03	InChI=1S/C18H15N3O3S/c19-17-13(10-1-3-11(4-2-10)18(20)22)7-12(8-21-17)16-15-14(9-25-16)23-5-6-24-15/h1-4,7-9H,5-6H2,(H2,19,21)(H2,20,22)
InChIKey	InChI	1.03	AWUXFIAHZKNRJF-UHFFFAOYSA-N

226262

PDB entries from 2024-10-16

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