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CDK

Summary

Name:	4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-N-(2-METHOXY-ETHYL)-BENZENESULFONAMIDE
Formula:	C18 H21 N5 O4 S2
Formal charge:	0
Formula weight:	435.52 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	4-{[4-(3,4-dimethyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl)pyrimidin-2-yl]amino}-N-(2-methoxyethyl)benzenesulfonamide
OpenEye OEToolkits	1.6.1	4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C3SC(c1nc(ncc1)Nc2ccc(cc2)S(=O)(=O)NCCOC)=C(N3C)C
SMILES_CANONICAL	CACTVS	3.352	COCCN[S](=O)(=O)c1ccc(Nc2nccc(n2)C3=C(C)N(C)C(=O)S3)cc1
SMILES	CACTVS	3.352	COCCN[S](=O)(=O)c1ccc(Nc2nccc(n2)C3=C(C)N(C)C(=O)S3)cc1
SMILES_CANONICAL	OpenEye OEToolkits	1.6.1	CC1=C(SC(=O)N1C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC
SMILES	OpenEye OEToolkits	1.6.1	CC1=C(SC(=O)N1C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC
InChI	InChI	1.03	InChI=1S/C18H21N5O4S2/c1-12-16(28-18(24)23(12)2)15-8-9-19-17(22-15)21-13-4-6-14(7-5-13)29(25,26)20-10-11-27-3/h4-9,20H,10-11H2,1-3H3,(H,19,21,22)
InChIKey	InChI	1.03	WQZVTNFUNLTGDW-UHFFFAOYSA-N

221716

PDB entries from 2024-06-26

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