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Summary Geometry Related PDB entries

0RO

Summary

Name:	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine
Formula:	C18 H25 N5 S2
Formal charge:	0
Formula weight:	375.555 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine
OpenEye OEToolkits	1.7.6	4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propyl-thieno[2,3-d]pyrimidine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1=C(SC(C)(C)C1)N4CCN(c3ncnc2sc(cc23)CCC)CC4
InChI	InChI	1.03	InChI=1S/C18H25N5S2/c1-4-5-13-10-14-15(20-12-21-16(14)24-13)22-6-8-23(9-7-22)17-19-11-18(2,3)25-17/h10,12H,4-9,11H2,1-3H3
InChIKey	InChI	1.03	SRQYLNYQAPCPIR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	CCCc1sc2ncnc(N3CCN(CC3)C4=NCC(C)(C)S4)c2c1
SMILES	CACTVS	3.370	CCCc1sc2ncnc(N3CCN(CC3)C4=NCC(C)(C)S4)c2c1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CCCc1cc2c(ncnc2s1)N3CCN(CC3)C4=NCC(S4)(C)C
SMILES	OpenEye OEToolkits	1.7.6	CCCc1cc2c(ncnc2s1)N3CCN(CC3)C4=NCC(S4)(C)C

221716

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