8-benzyl-9-(methylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
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Basic information
- CAS
354132-73-3- Standard SMILES
CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCc1ccccc1-3- InChIKey
MXBWVUWONBYREB-UHFFFAOYSA-N- Molecular formula
- C22H18N2OS2
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.08605555
Names & identifiers
- Preferred name
- 8-benzyl-9-(methylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
- IUPAC
- 13-benzyl-14-methylsulfanyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-12-one
- English name
- 8-benzyl-9-(methylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
- Molecular formula
- C22H18N2OS2
- Molecular weight
- 390.52
Names & synonyms
8-benzyl-9-(methylsulfanyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one8-benzyl-9-(methylthio)-5,6-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(8H)-oneOprea1_479655STK831217AKOS001629149AO-567/14622002SR-01000453537SR-01000453537-113-benzyl-14-methylsulfanyl-17-thia-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-12-one354132-73-3Naphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one, 5,8-dihydro-9-(methylthio)-8-(phenylmethyl)-
Database identifiers
- CAS
354132-73-3- PubChem CID
- 990551
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 603
Related reactions
0 records
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Compound notes
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