Basic information
- CAS
230630-00-9- Standard SMILES
CN(CC(=O)O)c1ncc2c(n1)-c1ccccc1SC2- InChIKey
JTKPQFIJOSZJCA-UHFFFAOYSA-N- Molecular formula
- C14H13N3O2S
- Average molar mass
- 287.34 g/mol
- Monoisotopic mass
- 287.07284784
Names & identifiers
- Preferred name
- N-5H-[1]Benzothiopyrano[4,3-d]pyrimidin-2-yl-N-methylglycine
- IUPAC
- 2-[methyl(5H-thiochromeno[4,3-d]pyrimidin-2-yl)amino]acetic acid
Names & synonyms
NSC688099CHEMBL2002572DTXSID001183760NSC-688099230630-00-9NCI60_031792N-5H-[1]Benzothiopyrano[4,3-d]pyrimidin-2-yl-N-methylglycine
Database identifiers
- CAS
230630-00-9- PubChem CID
- 390576
- DTXSID
DTXSID001183760- ChEMBL
CHEMBL2002572- Nikkaji
- J1.127.380G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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