Basic information
- Standard SMILES
COC(=O)c1ccc2c(c1)OCCN2Cc1cnc2nc(N)nc(N)c2n1- InChIKey
ZJTYBAFGKUYMOC-UHFFFAOYSA-N- Molecular formula
- C17H17N7O3
- Average molar mass
- 367.4 g/mol
Names & identifiers
- Preferred name
- Methyl 4-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxylate
- IUPAC
- methyl 4-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzoxazine-7-carboxylate
Names & synonyms
SCHEMBL8448160
Database identifiers
- PubChem CID
- 18961817
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 539
Related reactions
1 records
Compound notes
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