8-Methoxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido-[5,4-d]-pyrimidine
Basic information
- Standard SMILES
COc1ncnc2c(N3CCS(=O)CC3)nc(N3CCNCC3)nc12- InChIKey
RKSZILCTVSJIDK-UHFFFAOYSA-N- Molecular formula
- C15H21N7O2S
- Average molar mass
- 363.4 g/mol
Names & identifiers
- Preferred name
- 8-Methoxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido-[5,4-d]-pyrimidine
- IUPAC
- 4-(8-methoxy-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
Names & synonyms
SCHEMBL10665616RKSZILCTVSJIDK-UHFFFAOYSA-N8-Methoxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido-[5,4-d]-pyrimidine
Database identifiers
- PubChem CID
- 20150169
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 469
Related reactions
4 records
Compound notes
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