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Summary Geometry Related PDB entries

68U

Summary

Name:	N-methyl-8-(1-methyl-2,2-dioxo-2,3-dihydro-1H-2lambda~6~,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide
Formula:	C18 H16 N4 O3 S
Formal charge:	0
Formula weight:	368.41 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-methyl-8-(1-methyl-2,2-dioxo-2,3-dihydro-1H-2lambda~6~,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide
OpenEye OEToolkits	2.0.4	~{N}-methyl-8-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]-1,6-naphthyridine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CNC(=O)c1ccc4c(n1)c(c3cc2CS(=O)(N(c2cc3)C)=O)cnc4
InChI	InChI	1.03	InChI=1S/C18H16N4O3S/c1-19-18(23)15-5-3-12-8-20-9-14(17(12)21-15)11-4-6-16-13(7-11)10-26(24,25)22(16)2/h3-9H,10H2,1-2H3,(H,19,23)
InChIKey	InChI	1.03	DFYVDBLGPYTIAT-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)c1ccc2cncc(c3ccc4N(C)[S](=O)(=O)Cc4c3)c2n1
SMILES	CACTVS	3.385	CNC(=O)c1ccc2cncc(c3ccc4N(C)[S](=O)(=O)Cc4c3)c2n1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	CNC(=O)c1ccc2cncc(c2n1)c3ccc4c(c3)CS(=O)(=O)N4C
SMILES	OpenEye OEToolkits	2.0.4	CNC(=O)c1ccc2cncc(c2n1)c3ccc4c(c3)CS(=O)(=O)N4C

224931

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