3-[({3,5,6-trimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile



Compound number:
MolPort-002-091-890
IUPAC:
3-[({3,5,6-trimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile
IUPAC traditional:
3-[({3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile
SMILES:
Cc1sc2nc(SCc3cccc(c3)C#N)n(C)c(=O)c2c1C
InChI key:
PAUAMNFWPALAOC-UHFFFAOYSA-N
Molecular formula:
C17H15N3OS2
Molecular weight: 341.45
Solubility: not available

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 7 business days Purity: 90
Last updated: last month In warehouse: 100.00 mg Salt: FREE
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5 micromol April 28, 2021 34.00 USD
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1 mg April 28, 2021 32.00 USD
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5 mg April 28, 2021 38.00 USD
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Direct S&H to USA: 140.00 USD
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 6 business days Purity: 90+% BY 1H NMR
Last updated: > 3 months ago In warehouse: Unverified Salt: free
Pack size Ships out Price Qty
1 mg April 27, 2021 15.00 USD
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5 mg April 27, 2021 25.00 USD
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10 mg April 27, 2021 30.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-002-091-890

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000000471886
MFCD04211506
3-[({3,5,6-trimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile
3-[(3,5,6-trimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)methyl]ben zenecarbonitrile

InChI
InChI: 1S/C17H15N3OS2/c1-10-11(2)23-15-14(10)16(21)20(3)17(19-15)22-9-13-6-4-5-12(7-13)8-18/h4-7H,9H2,1-3H3
InChI key: PAUAMNFWPALAOC-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C17H15N3OS2
Molecular weight: 341.45

Other

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