Basic information
- CAS
78535-05-4- Standard SMILES
O=S1CCN(c2nc(N3CCNCC3)nc3c(OCc4ccccc4)ncnc23)CC1- InChIKey
UUAAOLXGDBTJHR-UHFFFAOYSA-N- Molecular formula
- C21H25N7O2S
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.17904424
Names & identifiers
- Preferred name
- Pyrimido(5,4-d)pyrimidine, 8-(phenylmethoxy)-2-(1-piperazinyl)-4-(4-thiomorpholinyl)-, S-oxide
- IUPAC
- 4-(8-phenylmethoxy-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
- English name
- 4-(2-phenylmethoxy-9-piperazin-1-yl-3,5,8,10-tetrazabicyclo[4.4.0]deca -2,4,7,9,11-pentaen-7-yl)-1,4-thiazinane 1-oxide
- Molecular formula
- C21H25N7O2S
- Molecular weight
- 439.5339
Names & synonyms
78535-05-48-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine8-(Phenylmethoxy)-2-(1-piperazinyl)-4-(4-thiomorpholinyl)pyrimido(5,4-d)pyrimidine S-oxidePyrimido(5,4-d)pyrimidine, 8-(phenylmethoxy)-2-(1-piperazinyl)-4-(4-thiomorpholinyl)-, S-oxideDTXSID80229151RefChem:377788DTXCID00151642SCHEMBL10659485UUAAOLXGDBTJHR-UHFFFAOYSA-N8-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido-[5,4-d]-pyrimidine4-[8-(Benzyloxy)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]-1lambda~4~-thiomorpholin-1-one4-(2-phenylmethoxy-9-piperazin-1-yl-3,5,8,10-tetrazabicyclo[4.4.0]deca -2,4,7,9,11-pentaen-7-yl)-1,4-thiazinane 1-oxide
Database identifiers
- CAS
78535-05-4- PubChem CID
- 3061024
- DTXSID
DTXSID80229151
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 592
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
4 records
Compound notes
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