2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N-phenylacetamide;ethanesulfonic acid

HCID 283597

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 50508-00-4
Standard SMILES: CC1(C)N=C(N)N=C(N)N1c1cccc(OCC(=O)Nc2ccccc2)c1.CCS(=O)(=O)O
InChIKey: STCWSANNEFLYOS-UHFFFAOYSA-N
Molecular formula: C21H28N6O5S
Average molar mass: 476.6 g/mol
Monoisotopic mass: 476.18418919

Names & identifiers

Preferred name: 2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N-phenylacetamide;ethanesulfonic acid
IUPAC: 2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N-phenylacetamide;ethanesulfonic acid

Names & synonyms

50508-00-4NSC138483DTXSID00300719NSC-138483DS-0128202-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-N-phenyl-acetamideEthanesulfonic acid--2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]-N-phenylacetamide (1/1)

Database identifiers

CAS: 50508-00-4
PubChem CID: 283597
DTXSID: DTXSID00300719

Properties

Computed structural properties

Topological polar surface area: 181 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 33
Formal charge: 0
Complexity: 702

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…