Basic information
- Standard SMILES
CSc1nc(N)nc2c1OCc1ccccc1-2- InChIKey
XGXYUEZTZZAISL-UHFFFAOYSA-N- Molecular formula
- C12H11N3OS
- Average molar mass
- 245.3 g/mol
Names & identifiers
- Preferred name
- 1-Methylsulfanyl-9h-10-oxa-2,4-diaza-phenanthren-3-ylamine
- IUPAC
- 4-methylsulfanyl-6H-isochromeno[4,3-d]pyrimidin-2-amine
Names & synonyms
SCHEMBL4879644XGXYUEZTZZAISL-UHFFFAOYSA-N1-methylsulfanyl-9h-10-oxa-2,4-diaza-phenanthren-3-ylamine
Database identifiers
- PubChem CID
- 69226865
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Related reactions
1 records
Compound notes
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