CHEBI:93449 - 4-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]benzonitrile

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ChEBI Name 4-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]benzonitrile
ChEBI ID CHEBI:93449
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H9N7S2
Net Charge 0
Average Mass 351.412
Monoisotopic Mass 351.03609
InChI InChI=1S/C15H9N7S2/c1-22-15(19-20-21-22)24-14-12-11(7-23-13(12)17-8-18-14)10-4-2-9(6-16)3-5-10/h2-5,7-8H,1H3
InChIKey HCEMNQMDDCPNJR-UHFFFAOYSA-N
SMILES CN1C(=NN=N1)SC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)C#N
ChEBI Ontology
Outgoing 4-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]benzonitrile (CHEBI:93449) is a aryl sulfide (CHEBI:35683)
4-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]benzonitrile (CHEBI:93449) is a thienopyrimidine (CHEBI:143212)
Manual Xref Database
LSM-3858 LINCS
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Last Modified
06 March 2019