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Summary

Name:	(2R)-2-{[1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide
Formula:	C14 H12 Cl N5 O2 S
Formal charge:	0
Formula weight:	349.795 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-2-{[1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide
OpenEye OEToolkits	2.0.6	(2~{R})-2-[[1-(3-chlorophenyl)-4-oxidanylidene-5~{H}-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N)C(C)SC3=Nc2n(c1cccc(c1)Cl)ncc2C(N3)=O
InChI	InChI	1.03	InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)/t7-/m1/s1
InChIKey	InChI	1.03	NASYEGAVCTZSDO-SSDOTTSWSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](SC1=Nc2n(ncc2C(=O)N1)c3cccc(Cl)c3)C(N)=O
SMILES	CACTVS	3.385	C[CH](SC1=Nc2n(ncc2C(=O)N1)c3cccc(Cl)c3)C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	C[C@H](C(=O)N)SC1=Nc2c(cnn2c3cccc(c3)Cl)C(=O)N1
SMILES	OpenEye OEToolkits	2.0.6	CC(C(=O)N)SC1=Nc2c(cnn2c3cccc(c3)Cl)C(=O)N1

219140

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