CHEBI:93531 - 3-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-1-propanol

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ChEBI Name 3-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-1-propanol
ChEBI ID CHEBI:93531
Stars This entity has been manually annotated by a third party.
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Formula C18H23N5OS
Net Charge 0
Average Mass 357.475
Monoisotopic Mass 357.16233
InChI InChI=1S/C18H23N5OS/c1-11-10-12(2)23(22-11)18-20-16(19-8-5-9-24)15-13-6-3-4-7-14(13)25-17(15)21-18/h10,24H,3-9H2,1-2H3,(H,19,20,21)
InChIKey WEAXENWHNHWGBP-UHFFFAOYSA-N
SMILES CC1=CC(=NN1C2=NC(=C3C4=C(CCCC4)SC3=N2)NCCCO)C
ChEBI Ontology
Outgoing 3-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-1-propanol (CHEBI:93531) is a organic heterobicyclic compound (CHEBI:27171)
3-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-1-propanol (CHEBI:93531) is a organonitrogen heterocyclic compound (CHEBI:38101)
3-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-1-propanol (CHEBI:93531) is a organosulfur heterocyclic compound (CHEBI:38106)
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Last Modified
06 March 2019