Basic information
- CAS
50699-32-6- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1cccc(CNC(=O)Nc2ccccc2)c1.CCS(=O)(=O)O- InChIKey
MNYKBXUGDBFCQS-UHFFFAOYSA-N- Molecular formula
- C21H29N7O4S
- Average molar mass
- 475.6 g/mol
- Monoisotopic mass
- 475.20017361
Names & identifiers
- Preferred name
- 1-[[3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methyl]-3-phenylurea;ethanesulfonic acid
- IUPAC
- 1-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methyl]-3-phenylurea;ethanesulfonic acid
Names & synonyms
50699-32-6NSC144205DTXSID90301558NSC-144205DS-0085231-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methyl]-3-phenyl-ureaEthanesulfonic acid--N-{[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl}-N'-phenylurea (1/1)
Database identifiers
- CAS
50699-32-6- PubChem CID
- 286271
- DTXSID
DTXSID90301558
Properties
Computed structural properties
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 700
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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