Basic information
- CAS
701228-29-7- Standard SMILES
C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2sc(C)cc2c1=O- InChIKey
YNZKZQNVXQSLJK-UHFFFAOYSA-N- Molecular formula
- C20H21N3O2S2
- Average molar mass
- 399.5 g/mol
Names & identifiers
- Preferred name
- N-(3,5-dimethylphenyl)-2-(6-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
- IUPAC
- N-(3,5-dimethylphenyl)-2-(6-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
- English name
- 2-[(3-allyl-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio]-N-(3,5-dimethylphenyl)acetamide
- Molecular formula
- C20H21N3O2S2
- Molecular weight
- 399.52964
Names & synonyms
N-(3,5-dimethylphenyl)-2-(6-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide2-[(3-allyl-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio]-N-(3,5-dimethylphenyl)acetamideAO-364/42192369701228-29-7
Database identifiers
- CAS
701228-29-7
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 614
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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