Basic information
- CAS
119260-93-4- Standard SMILES
O=c1[nH]cnc2sc3c(c12)CCN(Cc1ccccc1)C3- InChIKey
XIUNLLKWPRXLSS-UHFFFAOYSA-N- Molecular formula
- C16H15N3OS
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.09358328
Names & identifiers
- Preferred name
- 7-Benzyl-3,5,6,8-tetrahydropyrido[2,3]thieno[2,4-d]pyrimidin-4-one
- IUPAC
- 11-benzyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
- English name
- 7-benzyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
- Molecular formula
- C16H15N3OS
- Molecular weight
- 297.3748
Names & synonyms
119260-93-47-benzyl-3,5,6,8-tetrahydropyrido[2,3]thieno[2,4-d]pyrimidin-4-one7-benzyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-oneAG-205/14784007MLS000700906CHEMBL1481985HMS2546A067-Benzyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-oneSMR000230658
Database identifiers
- CAS
119260-93-4- PubChem CID
- 693913
- ChEMBL
CHEMBL1481985
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 435
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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