Basic information
- Standard SMILES
Nc1nc(S(=O)(=O)Cc2ccccc2)nc2[nH]c(=O)cnc12- InChIKey
UFMDFMPLTWZIQZ-UHFFFAOYSA-N- Molecular formula
- C13H11N5O3S
- Average molar mass
- 317.33 g/mol
Names & identifiers
- Preferred name
- 4-Amino-2-[(phenylmethyl)sulfonyl]-7(8H)-pteridinone
- IUPAC
- 4-amino-2-benzylsulfonyl-8H-pteridin-7-one
Names & synonyms
SCHEMBL3853223UFMDFMPLTWZIQZ-UHFFFAOYSA-N4-Amino-2-[(phenylmethyl)sulfonyl]-7(8H)-pteridinone
Database identifiers
- PubChem CID
- 22505995
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 553
Related reactions
3 records
Compound notes
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