Basic information
- Standard SMILES
CCOC(=S)Nc1cc(Nc2ncc3c(n2)N(C(C)C)CC(=O)N3C)cc(S(C)(=O)=O)c1- InChIKey
NRENWEULQQXKLL-UHFFFAOYSA-N- Molecular formula
- C20H26N6O4S2
- Average molar mass
- 478.6 g/mol
- Monoisotopic mass
- 478.14569568
Names & identifiers
- Preferred name
- [3-(8-Isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylamino)-5-(methylsulfonyl)-phenyl]-thiocarbamic acid ethyl ester
- IUPAC
- O-ethyl N-[3-[(5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)amino]-5-methylsulfonylphenyl]carbamothioate
Names & synonyms
SCHEMBL2874072NRENWEULQQXKLL-UHFFFAOYSA-N[3-(8-Isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylamino)-5-(methylsulfonyl)-phenyl]-thiocarbamic acid ethyl ester
Database identifiers
- PubChem CID
- 86640955
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 789
Related reactions
2 records
Compound notes
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